2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid

C12H11N3O3 — CID 82880507

IUPAC2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2ccncc2)c1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-10(12(17)18)9(6-14-7)15-11(16)8-2-4-13-5-3-8/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyOJODWNIMBQRXIA-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid

2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid (PubChem CID 82880507) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
PubChem CID82880507
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)c2ccncc2)c1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-10(12(17)18)9(6-14-7)15-11(16)8-2-4-13-5-3-8/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyOJODWNIMBQRXIA-UHFFFAOYSA-N
XLogP1.67
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653
2-methyl-4-[(3,4,5-trifluorobenzoyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82876120
4-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881402
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881484
4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107517244
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
4-[(2,4-dihydroxybenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880433
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881165
4-(2,2-dimethylpropanoylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880578
ethyl 2-methyl-4-(pyridazine-4-carbonylamino)-1H-pyrrole-3-carboxylate
CID 104669954
4-[(2-hydroxy-5-iodobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107731449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid (CID 82880507) is 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)c2ccncc2)c1C(=O)O.
What is the InChIKey of 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid?
The InChIKey is OJODWNIMBQRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-10(12(17)18)9(6-14-7)15-11(16)8-2-4-13-5-3-8/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid?
2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).