2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide

C13H14N4O3 — CID 140548835

IUPAC2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2[nH]ccc2C(N)=O)c(NC(N)=O)c1
InChIInChI=1S/C13H14N4O3/c1-20-7-2-3-8(10(6-7)17-13(15)19)11-9(12(14)18)4-5-16-11/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyOWMNZBWJLFWLNH-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide

2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide (PubChem CID 140548835) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide
PubChem CID140548835
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2[nH]ccc2C(N)=O)c(NC(N)=O)c1
InChIInChI=1S/C13H14N4O3/c1-20-7-2-3-8(10(6-7)17-13(15)19)11-9(12(14)18)4-5-16-11/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyOWMNZBWJLFWLNH-UHFFFAOYSA-N
XLogP1.28
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-4-yl)-5-methoxybenzamide
CID 67929816
5-methoxy-2-(methylamino)benzamide
CID 66991664
2-(2,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 123993310
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
methyl 2-(2-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 10922361
2-[(3-fluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854115
2-[2-(carbamoylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411113
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide (CID 140548835) is 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide is COc1ccc(-c2[nH]ccc2C(N)=O)c(NC(N)=O)c1.
What is the InChIKey of 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is OWMNZBWJLFWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-7-2-3-8(10(6-7)17-13(15)19)11-9(12(14)18)4-5-16-11/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19).
What are the key properties of 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide?
2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-4-methoxyphenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 140548835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).