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

C12H11N3O3 — CID 113483053

IUPAC5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccnc2)c(C(=O)O)[nH]1
InChIInChI=1S/C12H11N3O3/c1-7-5-9(10(14-7)12(17)18)15-11(16)8-3-2-4-13-6-8/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyLREWSIJZGSSGFU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.67
Rot. Bonds3

About 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid

5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid (PubChem CID 113483053) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
PubChem CID113483053
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccnc2)c(C(=O)O)[nH]1
InChIInChI=1S/C12H11N3O3/c1-7-5-9(10(14-7)12(17)18)15-11(16)8-3-2-4-13-6-8/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyLREWSIJZGSSGFU-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

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Related Compounds

3-[(3-methoxypyridine-4-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 105063309
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
CID 113483074
3-[4-methyl-3-(pyridine-3-carbonylamino)phenyl]prop-2-enoic acid
CID 76907410
3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16773059
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid (CID 113483053) is 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid is Cc1cc(NC(=O)c2cccnc2)c(C(=O)O)[nH]1.
What is the InChIKey of 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid?
The InChIKey is LREWSIJZGSSGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-5-9(10(14-7)12(17)18)15-11(16)8-3-2-4-13-6-8/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid?
5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-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 5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 113483053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).