N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide

C17H15N3O — CID 145287948

IUPACN-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESNc1ccc(C#Cc2cc(NC(=O)C3CC3)ccn2)cc1
InChIInChI=1S/C17H15N3O/c18-14-6-1-12(2-7-14)3-8-15-11-16(9-10-19-15)20-17(21)13-4-5-13/h1-2,6-7,9-11,13H,4-5,18H2,(H,19,20,21)
InChIKeyFOEOYRFNDGRRRT-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.41
Rot. Bonds2

About N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide

N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide (PubChem CID 145287948) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide
PubChem CID145287948
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESNc1ccc(C#Cc2cc(NC(=O)C3CC3)ccn2)cc1
InChIInChI=1S/C17H15N3O/c18-14-6-1-12(2-7-14)3-8-15-11-16(9-10-19-15)20-17(21)13-4-5-13/h1-2,6-7,9-11,13H,4-5,18H2,(H,19,20,21)
InChIKeyFOEOYRFNDGRRRT-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
CID 18998639
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
1-(5-amino-2-chloro-4-pyridinyl)-3-[2-(2-phenylethynyl)-4-pyridinyl]urea
CID 168979702
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 172601240
N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide;molecular hydrogen
CID 172601239
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
4-(2-aminopropan-2-yl)-N-[2-(2,2-dimethylhydrazinyl)-4-pyridinyl]cyclohexane-1-carboxamide
CID 18998546
N-[2-amino-1-(2-hydroxy-2-methylpropyl)benzimidazol-5-yl]cyclopropanecarboxamide
CID 144530598
N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46554358

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide (CID 145287948) is N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide is Nc1ccc(C#Cc2cc(NC(=O)C3CC3)ccn2)cc1.
What is the InChIKey of N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide?
The InChIKey is FOEOYRFNDGRRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-14-6-1-12(2-7-14)3-8-15-11-16(9-10-19-15)20-17(21)13-4-5-13/h1-2,6-7,9-11,13H,4-5,18H2,(H,19,20,21).
What are the key properties of N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide?
N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 145287948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).