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

C15H17N3O2 — CID 61240041

IUPACN-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccn2C2CC2)ccc1N
InChIInChI=1S/C15H17N3O2/c1-20-14-9-10(4-7-12(14)16)17-15(19)13-3-2-8-18(13)11-5-6-11/h2-4,7-9,11H,5-6,16H2,1H3,(H,17,19)
InChIKeyJSMYHKIVJCTIBR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds4

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

N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 61240041) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID61240041
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccn2C2CC2)ccc1N
InChIInChI=1S/C15H17N3O2/c1-20-14-9-10(4-7-12(14)16)17-15(19)13-3-2-8-18(13)11-5-6-11/h2-4,7-9,11H,5-6,16H2,1H3,(H,17,19)
InChIKeyJSMYHKIVJCTIBR-UHFFFAOYSA-N
XLogP2.67
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
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-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610106
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
tert-butyl 4-[2-[(4-methoxy-3-methylphenyl)carbamoyl]pyrrol-1-yl]piperidine-1-carboxylate
CID 56580198
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide (CID 61240041) is N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide is COc1cc(NC(=O)c2cccn2C2CC2)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is JSMYHKIVJCTIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-9-10(4-7-12(14)16)17-15(19)13-3-2-8-18(13)11-5-6-11/h2-4,7-9,11H,5-6,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 61240041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).