1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide

C15H14Cl2N2O2 — CID 2764863

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-18-15(21)11-4-6-14(20)19(9-11)8-10-3-5-12(16)7-13(10)17/h3-7,9H,2,8H2,1H3,(H,18,21)
InChIKeyBESONXPVUJBJPG-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.95
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide (PubChem CID 2764863) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide
PubChem CID2764863
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-2-18-15(21)11-4-6-14(20)19(9-11)8-10-3-5-12(16)7-13(10)17/h3-7,9H,2,8H2,1H3,(H,18,21)
InChIKeyBESONXPVUJBJPG-UHFFFAOYSA-N
XLogP2.95
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide (CID 2764863) is 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide is CCNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide?
The InChIKey is BESONXPVUJBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-18-15(21)11-4-6-14(20)19(9-11)8-10-3-5-12(16)7-13(10)17/h3-7,9H,2,8H2,1H3,(H,18,21).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-ethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 2764863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).