N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide

C22H26N4O2 — CID 58808518

IUPACN-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
SMILESCCc1cc(-c2cncc(C(=O)NCC3CCC(C#N)CC3)c2)c(C)[nH]c1=O
InChIInChI=1S/C22H26N4O2/c1-3-17-9-20(14(2)26-22(17)28)18-8-19(13-24-12-18)21(27)25-11-16-6-4-15(10-23)5-7-16/h8-9,12-13,15-16H,3-7,11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNGQXMMWPKVFLJW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.37
Rot. Bonds5

About N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide

N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide (PubChem CID 58808518) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
PubChem CID58808518
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
SMILESCCc1cc(-c2cncc(C(=O)NCC3CCC(C#N)CC3)c2)c(C)[nH]c1=O
InChIInChI=1S/C22H26N4O2/c1-3-17-9-20(14(2)26-22(17)28)18-8-19(13-24-12-18)21(27)25-11-16-6-4-15(10-23)5-7-16/h8-9,12-13,15-16H,3-7,11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyNGQXMMWPKVFLJW-UHFFFAOYSA-N
XLogP3.37
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808769
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide
CID 58808756
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 58808771
N-(cyclopropylmethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491129
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
CID 71082953
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
CID 71082958
N-[(3-aminocyclopentyl)methyl]-5-methylpyridine-3-carboxamide
CID 106121875
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate
CID 89258568
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide
CID 129246827
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 129315443
(4-cyanocyclohexyl)methylcarbamic acid
CID 67500694

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide (CID 58808518) is N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide is CCc1cc(-c2cncc(C(=O)NCC3CCC(C#N)CC3)c2)c(C)[nH]c1=O.
What is the InChIKey of N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide?
The InChIKey is NGQXMMWPKVFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-17-9-20(14(2)26-22(17)28)18-8-19(13-24-12-18)21(27)25-11-16-6-4-15(10-23)5-7-16/h8-9,12-13,15-16H,3-7,11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide?
N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 58808518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).