1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide

C15H16N4O4 — CID 174545277

IUPAC1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide
SMILESCC(C)C(=O)c1c(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)cn1N
InChIInChI=1S/C15H16N4O4/c1-8(2)14(20)13-12(15(16)21)11(7-18(13)17)9-3-5-10(6-4-9)19(22)23/h3-8H,17H2,1-2H3,(H2,16,21)
InChIKeyGWAXIAGWZSCWSA-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.71
Rot. Bonds5

About 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide

1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide (PubChem CID 174545277) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide
PubChem CID174545277
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide
SMILESCC(C)C(=O)c1c(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)cn1N
InChIInChI=1S/C15H16N4O4/c1-8(2)14(20)13-12(15(16)21)11(7-18(13)17)9-3-5-10(6-4-9)19(22)23/h3-8H,17H2,1-2H3,(H2,16,21)
InChIKeyGWAXIAGWZSCWSA-UHFFFAOYSA-N
XLogP1.71
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-carbamoyl-4-(4-nitrophenyl)pyrrole-1-carboxylic acid
CID 69064679
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]-3-oxopentan-2-yl]-1H-pyrazol-5-one
CID 150979104
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
CID 3357190
ethanol;1-methyl-4-nitrobenzene
CID 91088173
CID 89217409
CID 89217409
carbamic acid;nitrobenzene
CID 66874578
nitrobenzene;urea
CID 22364416
2-(4-nitroanilino)propanamide
CID 43400796
1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
CID 13157008
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
3-(4-methylphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
CID 4737321

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide (CID 174545277) is 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide is CC(C)C(=O)c1c(C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)cn1N.
What is the InChIKey of 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide?
The InChIKey is GWAXIAGWZSCWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-8(2)14(20)13-12(15(16)21)11(7-18(13)17)9-3-5-10(6-4-9)19(22)23/h3-8H,17H2,1-2H3,(H2,16,21).
What are the key properties of 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide?
1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropanoyl)-4-(4-nitrophenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 174545277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).