4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide

C14H17N3O3 — CID 43642860

IUPAC4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N)cn2C)cc(OC)c1
InChIInChI=1S/C14H17N3O3/c1-17-8-9(15)4-13(17)14(18)16-10-5-11(19-2)7-12(6-10)20-3/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeySOMNBPZYGNFJEI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.88
Rot. Bonds4

About 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43642860) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43642860
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N)cn2C)cc(OC)c1
InChIInChI=1S/C14H17N3O3/c1-17-8-9(15)4-13(17)14(18)16-10-5-11(19-2)7-12(6-10)20-3/h4-8H,15H2,1-3H3,(H,16,18)
InChIKeySOMNBPZYGNFJEI-UHFFFAOYSA-N
XLogP1.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide 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

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
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107587408
4-amino-N-(4,6-dimethoxypyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
CID 107624352
methyl 4-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]-1-methylpyrrole-2-carboxylate
CID 126639866
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
ethyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61112295
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
prop-2-enyl N-[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]phenyl]carbamate;hydrochloride
CID 171802265
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide (CID 43642860) is 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide is COc1cc(NC(=O)c2cc(N)cn2C)cc(OC)c1.
What is the InChIKey of 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is SOMNBPZYGNFJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17-8-9(15)4-13(17)14(18)16-10-5-11(19-2)7-12(6-10)20-3/h4-8H,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethoxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).