1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide

C16H17N3O — CID 107585399

IUPAC1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cncc(NC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C16H17N3O/c1-11-8-14(10-18-9-11)19-15(20)16(6-7-16)12-2-4-13(17)5-3-12/h2-5,8-10H,6-7,17H2,1H3,(H,19,20)
InChIKeyRUPUHWNHUIDIRM-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 107585399) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID107585399
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1cncc(NC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C16H17N3O/c1-11-8-14(10-18-9-11)19-15(20)16(6-7-16)12-2-4-13(17)5-3-12/h2-5,8-10H,6-7,17H2,1H3,(H,19,20)
InChIKeyRUPUHWNHUIDIRM-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.64
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-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
CID 115913894
1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(5-methyl-3-pyridinyl)cycloheptane-1-carboxamide
CID 107586257

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide (CID 107585399) is 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide is Cc1cncc(NC(=O)C2(c3ccc(N)cc3)CC2)c1.
What is the InChIKey of 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is RUPUHWNHUIDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-14(10-18-9-11)19-15(20)16(6-7-16)12-2-4-13(17)5-3-12/h2-5,8-10H,6-7,17H2,1H3,(H,19,20).
What are the key properties of 1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.64, 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-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107585399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).