4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide

C13H14N4O2 — CID 43642890

IUPAC4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H14N4O2/c1-17-7-9(14)6-11(17)13(19)16-10-4-2-8(3-5-10)12(15)18/h2-7H,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyUPLOIENFKITTBL-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.96
Rot. Bonds3

About 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43642890) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43642890
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H14N4O2/c1-17-7-9(14)6-11(17)13(19)16-10-4-2-8(3-5-10)12(15)18/h2-7H,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyUPLOIENFKITTBL-UHFFFAOYSA-N
XLogP0.96
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 29374337
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
prop-2-enyl N-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]carbamate;hydrochloride
CID 171802265
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107587408
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43642860
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
4-amino-N-[5-[[5-[2-(carbamoylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 142066067

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide (CID 43642890) is 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is UPLOIENFKITTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-7-9(14)6-11(17)13(19)16-10-4-2-8(3-5-10)12(15)18/h2-7H,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).