1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide

C17H19N3O — CID 103930614

IUPAC1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccc(N)cc2)CC1)c1ccccn1
InChIInChI=1S/C17H19N3O/c1-12(15-4-2-3-11-19-15)20-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8,11-12H,9-10,18H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyLAZWHTOVKWYJRZ-GFCCVEGCSA-N
MW281.36 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide (PubChem CID 103930614) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
PubChem CID103930614
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccc(N)cc2)CC1)c1ccccn1
InChIInChI=1S/C17H19N3O/c1-12(15-4-2-3-11-19-15)20-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8,11-12H,9-10,18H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyLAZWHTOVKWYJRZ-GFCCVEGCSA-N
XLogP2.57
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 ≤ 52.57
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-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81392052
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
(E)-3-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide
CID 115344795
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide (CID 103930614) is 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1(c2ccc(N)cc2)CC1)c1ccccn1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is LAZWHTOVKWYJRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(15-4-2-3-11-19-15)20-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8,11-12H,9-10,18H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.57, 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-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 103930614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).