2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide

C16H17ClN2O — CID 60738878

IUPAC2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-2-19(11-9-13-6-4-3-5-7-13)16(20)14-8-10-18-15(17)12-14/h3-8,10,12H,2,9,11H2,1H3
InChIKeyANGDQJGTZWDWAB-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide

2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide (PubChem CID 60738878) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
PubChem CID60738878
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide
SMILESCCN(CCc1ccccc1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-2-19(11-9-13-6-4-3-5-7-13)16(20)14-8-10-18-15(17)12-14/h3-8,10,12H,2,9,11H2,1H3
InChIKeyANGDQJGTZWDWAB-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
N-(2-aminoethyl)-2-(dimethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 120884650
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
N-ethyl-5-iodo-N-(2-phenylethyl)thiophene-3-carboxamide
CID 78948452
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
N-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide (CID 60738878) is 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide is CCN(CCc1ccccc1)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide?
The InChIKey is ANGDQJGTZWDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-19(11-9-13-6-4-3-5-7-13)16(20)14-8-10-18-15(17)12-14/h3-8,10,12H,2,9,11H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide?
2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 60738878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).