4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C17H20N4O — CID 109204576

IUPAC4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C17H20N4O/c22-17(20-13-14-6-2-3-8-18-14)16-12-15(7-9-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,22)
InChIKeyNBUYTCKZABUXEC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds4

About 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109204576) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109204576
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(N2CCCCC2)ccn1
InChIInChI=1S/C17H20N4O/c22-17(20-13-14-6-2-3-8-18-14)16-12-15(7-9-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,22)
InChIKeyNBUYTCKZABUXEC-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

4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109204576) is 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccn1)c1cc(N2CCCCC2)ccn1.
What is the InChIKey of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is NBUYTCKZABUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-13-14-6-2-3-8-18-14)16-12-15(7-9-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,20,22).
What are the key properties of 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-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 4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109204576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).