N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide

C16H17ClN2O — CID 110853490

IUPACN-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
SMILESCc1nccc(C(=O)NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H17ClN2O/c1-11-12(2)18-10-8-15(11)16(20)19-9-7-13-3-5-14(17)6-4-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
InChIKeyYFFYDUPCEKQUFQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide (PubChem CID 110853490) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
PubChem CID110853490
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
SMILESCc1nccc(C(=O)NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H17ClN2O/c1-11-12(2)18-10-8-15(11)16(20)19-9-7-13-3-5-14(17)6-4-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)
InChIKeyYFFYDUPCEKQUFQ-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684838
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide (CID 110853490) is N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide is Cc1nccc(C(=O)NCCc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide?
The InChIKey is YFFYDUPCEKQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-12(2)18-10-8-15(11)16(20)19-9-7-13-3-5-14(17)6-4-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 110853490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).