4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C14H17N3O4 — CID 115730315

IUPAC4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccnc(C(=O)O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H17N3O4/c1-9(13(19)17-6-2-3-7-17)16-12(18)10-4-5-15-11(8-10)14(20)21/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)(H,20,21)
InChIKeyIKSDPFCYJXGVPW-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.52
Rot. Bonds4

About 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid

4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 115730315) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID115730315
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccnc(C(=O)O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H17N3O4/c1-9(13(19)17-6-2-3-7-17)16-12(18)10-4-5-15-11(8-10)14(20)21/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)(H,20,21)
InChIKeyIKSDPFCYJXGVPW-UHFFFAOYSA-N
XLogP0.52
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
4-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119181875
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973

Frequently Asked Questions

What is the IUPAC name of 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 115730315) is 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid is CC(NC(=O)c1ccnc(C(=O)O)c1)C(=O)N1CCCC1.
What is the InChIKey of 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is IKSDPFCYJXGVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9(13(19)17-6-2-3-7-17)16-12(18)10-4-5-15-11(8-10)14(20)21/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115730315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).