5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C17H20N4O — CID 109226474

IUPAC5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C17H20N4O/c22-17(20-11-14-5-4-6-18-10-14)15-9-16(13-19-12-15)21-7-2-1-3-8-21/h4-6,9-10,12-13H,1-3,7-8,11H2,(H,20,22)
InChIKeyXNQWTNTYSFPNBH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds4

About 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109226474) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109226474
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C17H20N4O/c22-17(20-11-14-5-4-6-18-10-14)15-9-16(13-19-12-15)21-7-2-1-3-8-21/h4-6,9-10,12-13H,1-3,7-8,11H2,(H,20,22)
InChIKeyXNQWTNTYSFPNBH-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-formylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109230884
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258918
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055057
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 4170888

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109226474) is 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cncc(N2CCCCC2)c1.
What is the InChIKey of 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XNQWTNTYSFPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-11-14-5-4-6-18-10-14)15-9-16(13-19-12-15)21-7-2-1-3-8-21/h4-6,9-10,12-13H,1-3,7-8,11H2,(H,20,22).
What are the key properties of 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109226474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).