N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide

C14H9ClN2O — CID 113253382

IUPACN-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cnccc1Cl
InChIInChI=1S/C14H9ClN2O/c15-12-8-9-16-10-13(12)17-14(18)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18)
InChIKeyONWLDPJWLKJHBV-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.73
Rot. Bonds1

About N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide

N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide (PubChem CID 113253382) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
PubChem CID113253382
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC NameN-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cnccc1Cl
InChIInChI=1S/C14H9ClN2O/c15-12-8-9-16-10-13(12)17-14(18)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18)
InChIKeyONWLDPJWLKJHBV-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
CID 113238219
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
CID 82885550
N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
N-(4-chloro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 113236705
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
CID 81271695
N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 130162078

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide (CID 113253382) is N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide?
The InChIKey is ONWLDPJWLKJHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-8-9-16-10-13(12)17-14(18)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18).
What are the key properties of N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide?
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide has a molecular weight of 256.69 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 113253382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).