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Chemical ID: 5814060
Chemical ID:
5814060
Name [?]:
N-(4-methoxyphenyl)-2-morpholino-pyridine-3-carboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2cccnc2N3CCOCC3
InChi [?]:
InChI=1/C17H19N3O3/c1-22-14-6-4-13(5-7-14)19-17(21)15-3-2-8-18-16(15)20-9-11-23-12-10-20/h2-8H,9-12H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,14,13,5,7,4,8,15,19,23,20,22,6,3,12,17,10,16,9,18,11,2,21/E:(4,5)(6,7)(9,10)(11,12)/rA:23nCOCCCCCCNCOCCCCNCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08978 |
Area: | 505.181 |
Solvation: | -5.53974 |
Coulombic: | -47.3191 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.351 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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