6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid

C18H17N3O5 — CID 167825807

IUPAC6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C18H17N3O5/c22-15(12-7-8-14(18(25)26)20-16(12)23)19-13-6-2-1-5-11(13)17(24)21-9-3-4-10-21/h1-2,5-8H,3-4,9-10H2,(H,19,22)(H,20,23)(H,25,26)
InChIKeyULDTXCVVASHIKF-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.56
Rot. Bonds4

About 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid

6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid (PubChem CID 167825807) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid
PubChem CID167825807
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C18H17N3O5/c22-15(12-7-8-14(18(25)26)20-16(12)23)19-13-6-2-1-5-11(13)17(24)21-9-3-4-10-21/h1-2,5-8H,3-4,9-10H2,(H,19,22)(H,20,23)(H,25,26)
InChIKeyULDTXCVVASHIKF-UHFFFAOYSA-N
XLogP1.56
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 37079607
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46543764
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid (CID 167825807) is 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
The InChIKey is ULDTXCVVASHIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c22-15(12-7-8-14(18(25)26)20-16(12)23)19-13-6-2-1-5-11(13)17(24)21-9-3-4-10-21/h1-2,5-8H,3-4,9-10H2,(H,19,22)(H,20,23)(H,25,26).
What are the key properties of 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid?
6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 167825807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).