5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide

C14H12Cl2N2O — CID 42845804

IUPAC5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O/c1-2-18-14(19)11-5-10(7-17-8-11)9-3-4-12(15)13(16)6-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyZPKSSNLPCBWASI-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.81
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide

5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide (PubChem CID 42845804) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
PubChem CID42845804
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1cncc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O/c1-2-18-14(19)11-5-10(7-17-8-11)9-3-4-12(15)13(16)6-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyZPKSSNLPCBWASI-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 50846337
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 58833166
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide (CID 42845804) is 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide is CCNC(=O)c1cncc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide?
The InChIKey is ZPKSSNLPCBWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-2-18-14(19)11-5-10(7-17-8-11)9-3-4-12(15)13(16)6-9/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide?
5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 42845804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).