N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide

C13H15N3O2 — CID 43599964

IUPACN-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2C)cc1N
InChIInChI=1S/C13H15N3O2/c1-16-7-3-4-11(16)13(17)15-9-5-6-12(18-2)10(14)8-9/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyBAQJVVOQJQNFKH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.87
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide

N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43599964) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43599964
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2C)cc1N
InChIInChI=1S/C13H15N3O2/c1-16-7-3-4-11(16)13(17)15-9-5-6-12(18-2)10(14)8-9/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyBAQJVVOQJQNFKH-UHFFFAOYSA-N
XLogP1.87
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-methoxy-3-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 60631248
N-(3-amino-4-methoxyphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 43599966
N-(3-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120952
N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61240041
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610106
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide (CID 43599964) is N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide is COc1ccc(NC(=O)c2cccn2C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is BAQJVVOQJQNFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-7-3-4-11(16)13(17)15-9-5-6-12(18-2)10(14)8-9/h3-8H,14H2,1-2H3,(H,15,17).
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide?
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43599964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).