4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

C16H19N3O2 — CID 17391873

IUPAC4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccccn2)c1C
InChIInChI=1S/C16H19N3O2/c1-9-14(12(4)20)11(3)18-15(9)16(21)19-10(2)13-7-5-6-8-17-13/h5-8,10,18H,1-4H3,(H,19,21)
InChIKeySRYJBVMWIBJIBV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.72
Rot. Bonds4

About 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 17391873) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID17391873
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccccn2)c1C
InChIInChI=1S/C16H19N3O2/c1-9-14(12(4)20)11(3)18-15(9)16(21)19-10(2)13-7-5-6-8-17-13/h5-8,10,18H,1-4H3,(H,19,21)
InChIKeySRYJBVMWIBJIBV-UHFFFAOYSA-N
XLogP2.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 36947323
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
2-methoxyethyl 2,4-dimethyl-5-[[phenyl(pyridin-2-yl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46472214
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylphenyl)ethylamino]propan-1-one
CID 18097377
3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18775321
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (CID 17391873) is 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccccn2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is SRYJBVMWIBJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-14(12(4)20)11(3)18-15(9)16(21)19-10(2)13-7-5-6-8-17-13/h5-8,10,18H,1-4H3,(H,19,21).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.72, 4 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-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 17391873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).