N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide

C17H18ClN3O — CID 109180508

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H18ClN3O/c1-2-9-19-15-6-7-16(21-12-15)17(22)20-10-8-13-4-3-5-14(18)11-13/h2-7,11-12,19H,1,8-10H2,(H,20,22)
InChIKeyBVQNFMORGPIBIH-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180508) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180508
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H18ClN3O/c1-2-9-19-15-6-7-16(21-12-15)17(22)20-10-8-13-4-3-5-14(18)11-13/h2-7,11-12,19H,1,8-10H2,(H,20,22)
InChIKeyBVQNFMORGPIBIH-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide 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

N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189383
5-[2-(3-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180271
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202307
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180434
5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180409
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 43616522

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180508) is N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is BVQNFMORGPIBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-2-9-19-15-6-7-16(21-12-15)17(22)20-10-8-13-4-3-5-14(18)11-13/h2-7,11-12,19H,1,8-10H2,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).