4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide

C12H13ClN4O2 — CID 167849671

IUPAC4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1nccn(C)c1=O
InChIInChI=1S/C12H13ClN4O2/c1-3-17-7-8(13)6-9(17)11(18)15-10-12(19)16(2)5-4-14-10/h4-7H,3H2,1-2H3,(H,14,15,18)
InChIKeyMBLBDJFSWNGSEP-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.51
Rot. Bonds3

About 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide

4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide (PubChem CID 167849671) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide
PubChem CID167849671
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1nccn(C)c1=O
InChIInChI=1S/C12H13ClN4O2/c1-3-17-7-8(13)6-9(17)11(18)15-10-12(19)16(2)5-4-14-10/h4-7H,3H2,1-2H3,(H,14,15,18)
InChIKeyMBLBDJFSWNGSEP-UHFFFAOYSA-N
XLogP1.51
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 114051836
4-chloro-2-ethoxy-N-(4-methyl-3-oxopyrazin-2-yl)benzamide
CID 75449837
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
N-(4-methyl-3-oxopyrazin-2-yl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 71857660
3-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262147
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 79711659
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
6-(3-chloro-5-fluorophenyl)-N-(4-methyl-3-oxopyrazin-2-yl)pyrimidine-4-carboxamide
CID 162772492
1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea
CID 75505363
4-chloro-1-ethyl-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 60802989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide (CID 167849671) is 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1nccn(C)c1=O.
What is the InChIKey of 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide?
The InChIKey is MBLBDJFSWNGSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-3-17-7-8(13)6-9(17)11(18)15-10-12(19)16(2)5-4-14-10/h4-7H,3H2,1-2H3,(H,14,15,18).
What are the key properties of 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 167849671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).