4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide

C15H17N3O2 — CID 5009129

IUPAC4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C
InChIInChI=1S/C15H17N3O2/c1-8-6-5-7-12(16-8)18-15(20)14-9(2)13(11(4)19)10(3)17-14/h5-7,17H,1-4H3,(H,16,18,20)
InChIKeyPDRKSPXCMKTYMV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.79
Rot. Bonds3

About 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 5009129) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID5009129
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C
InChIInChI=1S/C15H17N3O2/c1-8-6-5-7-12(16-8)18-15(20)14-9(2)13(11(4)19)10(3)17-14/h5-7,17H,1-4H3,(H,16,18,20)
InChIKeyPDRKSPXCMKTYMV-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (CID 5009129) is 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is PDRKSPXCMKTYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-6-5-7-12(16-8)18-15(20)14-9(2)13(11(4)19)10(3)17-14/h5-7,17H,1-4H3,(H,16,18,20).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 5009129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).