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

C13H19N3O2 — CID 103793623

IUPAC1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCNCC2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-16-7-4-11(8-12(16)17)13(18)15-9-10-2-5-14-6-3-10/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,15,18)
InChIKeyVJFKIEZHCAUOCR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.11
Rot. Bonds3

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

1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 103793623) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID103793623
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCNCC2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-16-7-4-11(8-12(16)17)13(18)15-9-10-2-5-14-6-3-10/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,15,18)
InChIKeyVJFKIEZHCAUOCR-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
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-3-ylmethyl)pyridine-4-carboxamide
CID 103793639
1-methyl-2-oxo-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 113263742
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide (CID 103793623) is 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide is Cn1ccc(C(=O)NCC2CCNCC2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is VJFKIEZHCAUOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-7-4-11(8-12(16)17)13(18)15-9-10-2-5-14-6-3-10/h4,7-8,10,14H,2-3,5-6,9H2,1H3,(H,15,18).
What are the key properties of 1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide?
1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.11, 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-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103793623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).