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

C13H11ClN4O3 — CID 63261795

IUPAC3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C13H11ClN4O3/c14-7-5-9(18(6-7)8-1-2-8)12(19)17-11-10(13(20)21)15-3-4-16-11/h3-6,8H,1-2H2,(H,20,21)(H,16,17,19)
InChIKeyWJLMEUYNGWQACH-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.22
Rot. Bonds4

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

3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63261795) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID63261795
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C13H11ClN4O3/c14-7-5-9(18(6-7)8-1-2-8)12(19)17-11-10(13(20)21)15-3-4-16-11/h3-6,8H,1-2H2,(H,20,21)(H,16,17,19)
InChIKeyWJLMEUYNGWQACH-UHFFFAOYSA-N
XLogP2.22
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262147
4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43640338
4-chloro-1-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrole-2-carboxamide
CID 79252428
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640281
4-chloro-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222329
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 107612539
2-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-2-ethylbutanoic acid
CID 79806260
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81065103
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
CID 43640351
4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
CID 65114132

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid (CID 63261795) is 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NC(=O)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is WJLMEUYNGWQACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-7-5-9(18(6-7)8-1-2-8)12(19)17-11-10(13(20)21)15-3-4-16-11/h3-6,8H,1-2H2,(H,20,21)(H,16,17,19).
What are the key properties of 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63261795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).