1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide

C17H19N3O — CID 115913832

IUPAC1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)c(C)n1
InChIInChI=1S/C17H19N3O/c1-11-3-8-15(12(2)19-11)20-16(21)17(9-10-17)13-4-6-14(18)7-5-13/h3-8H,9-10,18H2,1-2H3,(H,20,21)
InChIKeyNATXUMARIBPYRZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 115913832) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID115913832
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)c(C)n1
InChIInChI=1S/C17H19N3O/c1-11-3-8-15(12(2)19-11)20-16(21)17(9-10-17)13-4-6-14(18)7-5-13/h3-8H,9-10,18H2,1-2H3,(H,20,21)
InChIKeyNATXUMARIBPYRZ-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
CID 115913894
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 107585399
1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913568
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropane-1-carboxamide
CID 115913409
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
N-(6-methoxy-2-methyl-3-pyridinyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100770896

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 115913832) is 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)c(C)n1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is NATXUMARIBPYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-3-8-15(12(2)19-11)20-16(21)17(9-10-17)13-4-6-14(18)7-5-13/h3-8H,9-10,18H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).