1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C16H17N3O — CID 115913218

IUPAC1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C16H17N3O/c17-13-6-4-12(5-7-13)16(8-9-16)15(20)19-11-14-3-1-2-10-18-14/h1-7,10H,8-9,11,17H2,(H,19,20)
InChIKeyZTKFBKLYWOGZKZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.01
Rot. Bonds4

About 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 115913218) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID115913218
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C16H17N3O/c17-13-6-4-12(5-7-13)16(8-9-16)15(20)19-11-14-3-1-2-10-18-14/h1-7,10H,8-9,11,17H2,(H,19,20)
InChIKeyZTKFBKLYWOGZKZ-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.01
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-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
CID 103930614
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
1-carbamothioyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80592731
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 114955945
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836
1-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 115913331

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 115913218) is 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)NCc3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZTKFBKLYWOGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-13-6-4-12(5-7-13)16(8-9-16)15(20)19-11-14-3-1-2-10-18-14/h1-7,10H,8-9,11,17H2,(H,19,20).
What are the key properties of 1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.01, 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-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).