4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide

C13H13N3O2 — CID 18107275

IUPAC4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C13H13N3O2/c1-8-4-3-5-12(15-8)16-13(18)11-6-10(7-14-11)9(2)17/h3-7,14H,1-2H3,(H,15,16,18)
InChIKeyIWQATEDHYOAJBK-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.17
Rot. Bonds3

About 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 18107275) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID18107275
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C13H13N3O2/c1-8-4-3-5-12(15-8)16-13(18)11-6-10(7-14-11)9(2)17/h3-7,14H,1-2H3,(H,15,16,18)
InChIKeyIWQATEDHYOAJBK-UHFFFAOYSA-N
XLogP2.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 9180228
N-(6-methyl-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 18107198
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51101782
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9090081
4-acetyl-N-(3-ethynylphenyl)-1H-pyrrole-2-carboxamide
CID 18168150
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (CID 18107275) is 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cccc(C)n2)c1.
What is the InChIKey of 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IWQATEDHYOAJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-4-3-5-12(15-8)16-13(18)11-6-10(7-14-11)9(2)17/h3-7,14H,1-2H3,(H,15,16,18).
What are the key properties of 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18107275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).