2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide

C12H11N5O4 — CID 59285840

IUPAC2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1C(N)=O
InChIInChI=1S/C12H11N5O4/c13-10(18)8-5-9(15-11(8)16-12(14)19)6-1-3-7(4-2-6)17(20)21/h1-5,15H,(H2,13,18)(H3,14,16,19)
InChIKeyGYICMSHCVHXTQX-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.18
Rot. Bonds4

About 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 59285840) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
PubChem CID59285840
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1C(N)=O
InChIInChI=1S/C12H11N5O4/c13-10(18)8-5-9(15-11(8)16-12(14)19)6-1-3-7(4-2-6)17(20)21/h1-5,15H,(H2,13,18)(H3,14,16,19)
InChIKeyGYICMSHCVHXTQX-UHFFFAOYSA-N
XLogP1.18
TPSA157.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 25005711
2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285824
[4-(4-fluorophenyl)-6-(4-nitrophenyl)pyrimidin-2-yl]urea
CID 46704086
2-amino-5-[3-(4-nitrophenyl)sulfanylphenyl]-1H-pyrrole-3-carboxamide
CID 59285941
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285843
2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxamide
CID 1246796
4-[(4-nitrophenyl)carbamothioylamino]benzamide
CID 2956829
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
5-nitro-2-[4-[(4-nitrophenyl)methyl]phenyl]-1H-indole
CID 15534182
2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285855

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide (CID 59285840) is 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is GYICMSHCVHXTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c13-10(18)8-5-9(15-11(8)16-12(14)19)6-1-3-7(4-2-6)17(20)21/h1-5,15H,(H2,13,18)(H3,14,16,19).
What are the key properties of 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).