1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

C19H19N5O2 — CID 86988880

IUPAC1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1
InChIInChI=1S/C19H19N5O2/c20-10-13-3-1-4-14(9-13)19(26)23-16-6-7-17(22-11-16)24-8-2-5-15(12-24)18(21)25/h1,3-4,6-7,9,11,15H,2,5,8,12H2,(H2,21,25)(H,23,26)
InChIKeyJITIQIBNJVVYEG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.91
Rot. Bonds4

About 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86988880) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86988880
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1
InChIInChI=1S/C19H19N5O2/c20-10-13-3-1-4-14(9-13)19(26)23-16-6-7-17(22-11-16)24-8-2-5-15(12-24)18(21)25/h1,3-4,6-7,9,11,15H,2,5,8,12H2,(H2,21,25)(H,23,26)
InChIKeyJITIQIBNJVVYEG-UHFFFAOYSA-N
XLogP1.91
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970708
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55968404
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 86988880) is 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is N#Cc1cccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1.
What is the InChIKey of 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is JITIQIBNJVVYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-10-13-3-1-4-14(9-13)19(26)23-16-6-7-17(22-11-16)24-8-2-5-15(12-24)18(21)25/h1,3-4,6-7,9,11,15H,2,5,8,12H2,(H2,21,25)(H,23,26).
What are the key properties of 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86988880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).