1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea

C14H15N5O6 — CID 118706460

IUPAC1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea
SMILESCOc1ccc(OC)c(NC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1
InChIInChI=1S/C14H15N5O6/c1-24-9-3-4-12(25-2)10(6-9)16-14(21)18-17-13(20)11-5-8(7-15-11)19(22)23/h3-7,15H,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyGFNOGARXPHUXOA-UHFFFAOYSA-N
MW349.30 g/mol
LogP1.41
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea

1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea (PubChem CID 118706460) has the molecular formula C14H15N5O6 and a molecular weight of 349.30 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea
PubChem CID118706460
Molecular FormulaC14H15N5O6
Molecular Weight349.30 g/mol
Exact Mass349.10
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea
SMILESCOc1ccc(OC)c(NC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1
InChIInChI=1S/C14H15N5O6/c1-24-9-3-4-12(25-2)10(6-9)16-14(21)18-17-13(20)11-5-8(7-15-11)19(22)23/h3-7,15H,1-2H3,(H,17,20)(H2,16,18,21)
InChIKeyGFNOGARXPHUXOA-UHFFFAOYSA-N
XLogP1.41
TPSA147.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.41
H-Bond Donors ≤ 54
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'}

Analyze 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(2,5-dimethoxyphenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 1116125
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
1-(2-methoxy-5-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]urea
CID 2954956
4-bromo-N'-(2,4-dimethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 17421548
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907831
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
1-(4-methoxy-2-methylphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 17381058
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823855
N-[4-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 23098044

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea (CID 118706460) is 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea is COc1ccc(OC)c(NC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea?
The InChIKey is GFNOGARXPHUXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O6/c1-24-9-3-4-12(25-2)10(6-9)16-14(21)18-17-13(20)11-5-8(7-15-11)19(22)23/h3-7,15H,1-2H3,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea?
1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea has a molecular weight of 349.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea is sourced from PubChem (CID 118706460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).