N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C25H34N4O2 — CID 172663149

IUPACN-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-19-11-14-28(17-20-7-5-12-26-15-20)24(30)23(19)25(31)29(22-9-3-2-4-10-22)18-21-8-6-13-27-16-21/h6,8,11,13-14,16,20,22,26H,2-5,7,9-10,12,15,17-18H2,1H3
InChIKeyIUBWZTWOXWYCBT-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.53
Rot. Bonds6

About N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172663149) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172663149
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C25H34N4O2/c1-19-11-14-28(17-20-7-5-12-26-15-20)24(30)23(19)25(31)29(22-9-3-2-4-10-22)18-21-8-6-13-27-16-21/h6,8,11,13-14,16,20,22,26H,2-5,7,9-10,12,15,17-18H2,1H3
InChIKeyIUBWZTWOXWYCBT-UHFFFAOYSA-N
XLogP3.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236
N-ethyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 172655490
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658647
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912471
N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667682
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912358
N-(2-methoxyethyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 172673934
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172663149) is N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N(Cc1cccnc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IUBWZTWOXWYCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-19-11-14-28(17-20-7-5-12-26-15-20)24(30)23(19)25(31)29(22-9-3-2-4-10-22)18-21-8-6-13-27-16-21/h6,8,11,13-14,16,20,22,26H,2-5,7,9-10,12,15,17-18H2,1H3.
What are the key properties of N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172663149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).