4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C17H20N4O — CID 110257631

IUPAC4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(C2CCCNC2)ccn1
InChIInChI=1S/C17H20N4O/c22-17(21-11-13-3-7-18-8-4-13)16-10-14(5-9-20-16)15-2-1-6-19-12-15/h3-5,7-10,15,19H,1-2,6,11-12H2,(H,21,22)
InChIKeyAWLMGXIDCYTHSA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.87
Rot. Bonds4

About 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 110257631) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID110257631
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(C2CCCNC2)ccn1
InChIInChI=1S/C17H20N4O/c22-17(21-11-13-3-7-18-8-4-13)16-10-14(5-9-20-16)15-2-1-6-19-12-15/h3-5,7-10,15,19H,1-2,6,11-12H2,(H,21,22)
InChIKeyAWLMGXIDCYTHSA-UHFFFAOYSA-N
XLogP1.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109078635
6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 110271375
N-[(4-bromophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846077
6-(cyclopentylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112110
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
CID 86276993
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide
CID 122570407

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 110257631) is 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cc(C2CCCNC2)ccn1.
What is the InChIKey of 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is AWLMGXIDCYTHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(21-11-13-3-7-18-8-4-13)16-10-14(5-9-20-16)15-2-1-6-19-12-15/h3-5,7-10,15,19H,1-2,6,11-12H2,(H,21,22).
What are the key properties of 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 110257631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).