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Chemical ID: 7518931
Chemical ID:
7518931
Name [?]:
N-phenyl-2-pyrrolidin-1-yl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2cccnc2N3CCCC3
InChi [?]:
InChI=1/C16H17N3O/c20-16(18-13-7-2-1-3-8-13)14-9-6-10-17-15(14)19-11-4-5-12-19/h1-3,6-10H,4-5,11-12H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,12,3,5,11,13,17,20,4,10,15,8,14,7,16,9/E:(2,3)(4,5)(7,8)(11,12)/rA:20nCCCCCCNCOCCCCNCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.32184 |
Area: | 452.664 |
Solvation: | -2.99476 |
Coulombic: | -33.0567 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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