N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C15H14ClFN2O2 — CID 75435826

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c[nH]1
InChIInChI=1S/C15H14ClFN2O2/c1-9-5-14(20)11(7-18-9)15(21)19(2)8-10-3-4-12(16)13(17)6-10/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyIZCAWXGDBYJYBN-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.75
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 75435826) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID75435826
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c[nH]1
InChIInChI=1S/C15H14ClFN2O2/c1-9-5-14(20)11(7-18-9)15(21)19(2)8-10-3-4-12(16)13(17)6-10/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyIZCAWXGDBYJYBN-UHFFFAOYSA-N
XLogP2.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 75435826) is N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c[nH]1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IZCAWXGDBYJYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-5-14(20)11(7-18-9)15(21)19(2)8-10-3-4-12(16)13(17)6-10/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75435826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).