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

C13H19N3O2 — CID 113263742

IUPAC1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCCCN2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-16-7-5-10(8-12(16)17)13(18)15-9-11-4-2-3-6-14-11/h5,7-8,11,14H,2-4,6,9H2,1H3,(H,15,18)
InChIKeyCQWAUAAZXQNALJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.26
Rot. Bonds3

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

1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 113263742) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID113263742
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCCCN2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-16-7-5-10(8-12(16)17)13(18)15-9-11-4-2-3-6-14-11/h5,7-8,11,14H,2-4,6,9H2,1H3,(H,15,18)
InChIKeyCQWAUAAZXQNALJ-UHFFFAOYSA-N
XLogP0.26
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304
1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
CID 103793623
1-methyl-2-oxo-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 103793639
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
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N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
N-(piperidin-2-ylmethyl)-3-propoxybenzamide
CID 62919504
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
1-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 71993216
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide (CID 113263742) is 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide is Cn1ccc(C(=O)NCC2CCCCN2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CQWAUAAZXQNALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-7-5-10(8-12(16)17)13(18)15-9-11-4-2-3-6-14-11/h5,7-8,11,14H,2-4,6,9H2,1H3,(H,15,18).
What are the key properties of 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113263742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).