N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide

C16H19N3O2 — CID 138045634

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N[C@@H](C)C(N)=O)n2C)c1
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-12(9-10)13-7-8-14(19(13)3)16(21)18-11(2)15(17)20/h4-9,11H,1-3H3,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyHOLQNXFPPJICDX-NSHDSACASA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds4

About N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide (PubChem CID 138045634) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide
PubChem CID138045634
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)N[C@@H](C)C(N)=O)n2C)c1
InChIInChI=1S/C16H19N3O2/c1-10-5-4-6-12(9-10)13-7-8-14(19(13)3)16(21)18-11(2)15(17)20/h4-9,11H,1-3H3,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyHOLQNXFPPJICDX-NSHDSACASA-N
XLogP1.60
TPSA77.12 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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-4-methoxy-1-oxobutan-2-yl]-1-methyl-5-phenylpyrrole-2-carboxamide
CID 97259024
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
5-(3-methylphenyl)-1-propylpyrrole-2-carboxylic acid
CID 43671767
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
(2S)-2-[(1,6-dimethylindole-2-carbonyl)amino]propanoic acid
CID 110835848
methyl 5-(3-aminophenyl)-1-methylpyrrole-2-carboxylate
CID 117222705
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide (CID 138045634) is N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide is Cc1cccc(-c2ccc(C(=O)N[C@@H](C)C(N)=O)n2C)c1.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is HOLQNXFPPJICDX-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-4-6-12(9-10)13-7-8-14(19(13)3)16(21)18-11(2)15(17)20/h4-9,11H,1-3H3,(H2,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-1-methyl-5-(3-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 138045634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).