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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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).