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Chemical ID: 4740328
Chemical ID:
4740328
Name [?]:
N-(cyclopropylmethyl)-2-phenoxy-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)Oc2c(cccn2)C(=O)NCC3CC3
InChi [?]:
InChI=1/C16H16N2O2/c19-15(18-11-12-8-9-12)14-7-4-10-17-16(14)20-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,10,19,20,12,17,18,4,9,14,8,13,16,15,7/E:(2,3)(5,6)(8,9)/rA:20nCCCCCCOCCCCCNCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s9;d14;s14;s16;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6179 |
Area: | 477.354 |
Solvation: | -3.31596 |
Coulombic: | -35.8682 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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