5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid

C13H16N4O4 — CID 64667847

IUPAC5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCN1CC(NC(=O)Nc2cncc(C(=O)O)c2)CCC1=O
InChIInChI=1S/C13H16N4O4/c1-17-7-9(2-3-11(17)18)15-13(21)16-10-4-8(12(19)20)5-14-6-10/h4-6,9H,2-3,7H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyCIPKMGKRSXVVJP-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.52
Rot. Bonds3

About 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid

5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid (PubChem CID 64667847) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
PubChem CID64667847
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
SMILESCN1CC(NC(=O)Nc2cncc(C(=O)O)c2)CCC1=O
InChIInChI=1S/C13H16N4O4/c1-17-7-9(2-3-11(17)18)15-13(21)16-10-4-8(12(19)20)5-14-6-10/h4-6,9H,2-3,7H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyCIPKMGKRSXVVJP-UHFFFAOYSA-N
XLogP0.52
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 106258258
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-3-[(3S)-1-methyl-6-oxopiperidin-3-yl]urea
CID 95774153
(2R)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 103928096
(2S)-3,3-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64668639
5-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 64694947
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea
CID 95774139
2-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 79801781
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1H-imidazole-5-carboxamide
CID 125130512
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid (CID 64667847) is 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid is CN1CC(NC(=O)Nc2cncc(C(=O)O)c2)CCC1=O.
What is the InChIKey of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is CIPKMGKRSXVVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-17-7-9(2-3-11(17)18)15-13(21)16-10-4-8(12(19)20)5-14-6-10/h4-6,9H,2-3,7H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid?
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 64667847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).