2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid

C13H15N3O4 — CID 64655940

IUPAC2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN1CC(NC(=O)c2ncccc2C(=O)O)CCC1=O
InChIInChI=1S/C13H15N3O4/c1-16-7-8(4-5-10(16)17)15-12(18)11-9(13(19)20)3-2-6-14-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyFXUKEMBFEYCKKR-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.13
Rot. Bonds3

About 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid

2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 64655940) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID64655940
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN1CC(NC(=O)c2ncccc2C(=O)O)CCC1=O
InChIInChI=1S/C13H15N3O4/c1-16-7-8(4-5-10(16)17)15-12(18)11-9(13(19)20)3-2-6-14-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyFXUKEMBFEYCKKR-UHFFFAOYSA-N
XLogP0.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
3-amino-2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 112575976
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 81232502
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
4-chloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669402
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
4-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 64669449
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid (CID 64655940) is 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid is CN1CC(NC(=O)c2ncccc2C(=O)O)CCC1=O.
What is the InChIKey of 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is FXUKEMBFEYCKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16-7-8(4-5-10(16)17)15-12(18)11-9(13(19)20)3-2-6-14-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64655940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).