3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid

C11H9ClN4O3 — CID 63262147

IUPAC3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCn1cc(Cl)cc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H9ClN4O3/c1-16-5-6(12)4-7(16)10(17)15-9-8(11(18)19)13-2-3-14-9/h2-5H,1H3,(H,18,19)(H,14,15,17)
InChIKeyZWRGUJZFMKDDCF-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.42
Rot. Bonds3

About 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262147) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262147
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCn1cc(Cl)cc1C(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H9ClN4O3/c1-16-5-6(12)4-7(16)10(17)15-9-8(11(18)19)13-2-3-14-9/h2-5H,1H3,(H,18,19)(H,14,15,17)
InChIKeyZWRGUJZFMKDDCF-UHFFFAOYSA-N
XLogP1.42
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63261795
4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 60968792
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262070
3-[(1-propylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262330
3-[(5-chloro-2-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 63261817
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide
CID 167849671
4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide
CID 167850095
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethylbenzoic acid
CID 166349980
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid (CID 63262147) is 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid is Cn1cc(Cl)cc1C(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ZWRGUJZFMKDDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-16-5-6(12)4-7(16)10(17)15-9-8(11(18)19)13-2-3-14-9/h2-5H,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 280.67 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).