2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid

C13H11ClN4O3 — CID 170160495

IUPAC2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)c1cnc(Nc2ncccc2C(=O)O)cc1Cl
InChIInChI=1S/C13H11ClN4O3/c1-15-12(19)8-6-17-10(5-9(8)14)18-11-7(13(20)21)3-2-4-16-11/h2-6H,1H3,(H,15,19)(H,20,21)(H,16,17,18)
InChIKeyFBQQLXOUCZKWLT-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.93
Rot. Bonds4

About 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid

2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 170160495) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
PubChem CID170160495
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)c1cnc(Nc2ncccc2C(=O)O)cc1Cl
InChIInChI=1S/C13H11ClN4O3/c1-15-12(19)8-6-17-10(5-9(8)14)18-11-7(13(20)21)3-2-4-16-11/h2-6H,1H3,(H,15,19)(H,20,21)(H,16,17,18)
InChIKeyFBQQLXOUCZKWLT-UHFFFAOYSA-N
XLogP1.93
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292
2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
CID 153457704
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(4-acetylanilino)pyridine-3-carboxylic acid
CID 14222049
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-[(3,4,5-trichloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653226
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 160857576
2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319280

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid (CID 170160495) is 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid is CNC(=O)c1cnc(Nc2ncccc2C(=O)O)cc1Cl.
What is the InChIKey of 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FBQQLXOUCZKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-15-12(19)8-6-17-10(5-9(8)14)18-11-7(13(20)21)3-2-4-16-11/h2-6H,1H3,(H,15,19)(H,20,21)(H,16,17,18).
What are the key properties of 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid?
2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 170160495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).