N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide

C20H27N3O2 — CID 119420979

IUPACN-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(C)n(C3CCCCC3)c2C)c1
InChIInChI=1S/C20H27N3O2/c1-13-11-17(14(2)23(13)15-7-5-4-6-8-15)20(24)22-19-12-16(25-3)9-10-18(19)21/h9-12,15H,4-8,21H2,1-3H3,(H,22,24)
InChIKeyGZIPUQLHHGGABR-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.45
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide

N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 119420979) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID119420979
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(C)n(C3CCCCC3)c2C)c1
InChIInChI=1S/C20H27N3O2/c1-13-11-17(14(2)23(13)15-7-5-4-6-8-15)20(24)22-19-12-16(25-3)9-10-18(19)21/h9-12,15H,4-8,21H2,1-3H3,(H,22,24)
InChIKeyGZIPUQLHHGGABR-UHFFFAOYSA-N
XLogP4.45
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.45
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

methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
CID 55962259
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(4-methoxyanilino)ethanone
CID 110655150
N-(2-amino-5-methoxyphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119420735
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 120603680
1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
CID 132968634
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119421734
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide (CID 119420979) is N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(N)c(NC(=O)c2cc(C)n(C3CCCCC3)c2C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is GZIPUQLHHGGABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-11-17(14(2)23(13)15-7-5-4-6-8-15)20(24)22-19-12-16(25-3)9-10-18(19)21/h9-12,15H,4-8,21H2,1-3H3,(H,22,24).
What are the key properties of N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide?
N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 119420979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).