1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide

C17H19N3O — CID 115913622

IUPAC1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C17H19N3O/c1-12-3-2-4-15(20-12)11-19-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8H,9-11,18H2,1H3,(H,19,21)
InChIKeyCGBIQNWEZCVRCZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.32
Rot. Bonds4

About 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115913622) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID115913622
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C17H19N3O/c1-12-3-2-4-15(20-12)11-19-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8H,9-11,18H2,1H3,(H,19,21)
InChIKeyCGBIQNWEZCVRCZ-UHFFFAOYSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.32
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-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56817614
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331
(E)-3-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 115343943
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 115913622) is 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1cccc(CNC(=O)C2(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CGBIQNWEZCVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-2-4-15(20-12)11-19-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8H,9-11,18H2,1H3,(H,19,21).
What are the key properties of 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115913622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).