5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid

C12H12N4O3 — CID 113483074

IUPAC5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cnc(C(=O)Nc2cc(C)[nH]c2C(=O)O)cn1
InChIInChI=1S/C12H12N4O3/c1-6-3-8(10(15-6)12(18)19)16-11(17)9-5-13-7(2)4-14-9/h3-5,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFOLBCQQMGSNNAC-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.37
Rot. Bonds3

About 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid

5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid (PubChem CID 113483074) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
PubChem CID113483074
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cnc(C(=O)Nc2cc(C)[nH]c2C(=O)O)cn1
InChIInChI=1S/C12H12N4O3/c1-6-3-8(10(15-6)12(18)19)16-11(17)9-5-13-7(2)4-14-9/h3-5,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFOLBCQQMGSNNAC-UHFFFAOYSA-N
XLogP1.37
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
CID 113483053
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(4-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 2388228
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
methyl 5-methyl-3-(pyridine-2-carbonylamino)-1H-pyrrole-2-carboxylate
CID 166201187
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
4-[(2-methoxycarbonyl-5-methyl-1H-pyrrol-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 167783555
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
CID 18122028

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid (CID 113483074) is 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid is Cc1cnc(C(=O)Nc2cc(C)[nH]c2C(=O)O)cn1.
What is the InChIKey of 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
The InChIKey is FOLBCQQMGSNNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-6-3-8(10(15-6)12(18)19)16-11(17)9-5-13-7(2)4-14-9/h3-5,15H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid?
5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 113483074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).