2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide

C16H19N3O2 — CID 131914713

IUPAC2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2cc[nH]c2C)c1
InChIInChI=1S/C16H19N3O2/c1-4-15(20)18-12-6-5-10(2)14(9-12)19-16(21)13-7-8-17-11(13)3/h5-9,17H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJAEYNEDPNOXHHW-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.23
Rot. Bonds4

About 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide

2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 131914713) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID131914713
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2cc[nH]c2C)c1
InChIInChI=1S/C16H19N3O2/c1-4-15(20)18-12-6-5-10(2)14(9-12)19-16(21)13-7-8-17-11(13)3/h5-9,17H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJAEYNEDPNOXHHW-UHFFFAOYSA-N
XLogP3.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide (CID 131914713) is 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2cc[nH]c2C)c1.
What is the InChIKey of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JAEYNEDPNOXHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-15(20)18-12-6-5-10(2)14(9-12)19-16(21)13-7-8-17-11(13)3/h5-9,17H,4H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide?
2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 131914713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).