1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C16H15N3O4 — CID 119356855

IUPAC1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C16H15N3O4/c20-14-11(15(21)19-9-1-2-13(19)16(22)23)3-4-12(18-14)10-5-7-17-8-6-10/h3-8,13H,1-2,9H2,(H,18,20)(H,22,23)
InChIKeyJXJBGWDVYQULGE-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119356855) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119356855
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C16H15N3O4/c20-14-11(15(21)19-9-1-2-13(19)16(22)23)3-4-12(18-14)10-5-7-17-8-6-10/h3-8,13H,1-2,9H2,(H,18,20)(H,22,23)
InChIKeyJXJBGWDVYQULGE-UHFFFAOYSA-N
XLogP1.13
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 124592587
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
1-(4-bromo-2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 43629559
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
1-(3-bromopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120514918
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 137010231
1-(isoquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355718
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119356855) is 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JXJBGWDVYQULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-14-11(15(21)19-9-1-2-13(19)16(22)23)3-4-12(18-14)10-5-7-17-8-6-10/h3-8,13H,1-2,9H2,(H,18,20)(H,22,23).
What are the key properties of 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).