N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide

C15H15ClN2O3 — CID 30858968

IUPACN-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C15H15ClN2O3/c1-18-9-14(21-2)13(19)7-12(18)15(20)17-8-10-3-5-11(16)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyMAXDFZXDQORXFY-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.98
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide (PubChem CID 30858968) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
PubChem CID30858968
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C15H15ClN2O3/c1-18-9-14(21-2)13(19)7-12(18)15(20)17-8-10-3-5-11(16)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyMAXDFZXDQORXFY-UHFFFAOYSA-N
XLogP1.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide (CID 30858968) is N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide is COc1cn(C)c(C(=O)NCc2ccc(Cl)cc2)cc1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is MAXDFZXDQORXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-18-9-14(21-2)13(19)7-12(18)15(20)17-8-10-3-5-11(16)6-4-10/h3-7,9H,8H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 30858968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).