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

C16H17ClN2O3 — CID 30859018

IUPACN-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCCOc1cn(C)c(C(=O)NCc2ccccc2Cl)cc1=O
InChIInChI=1S/C16H17ClN2O3/c1-3-22-15-10-19(2)13(8-14(15)20)16(21)18-9-11-6-4-5-7-12(11)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)
InChIKeyVHFASNVNRBTPOZ-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.37
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide (PubChem CID 30859018) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
PubChem CID30859018
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCCOc1cn(C)c(C(=O)NCc2ccccc2Cl)cc1=O
InChIInChI=1S/C16H17ClN2O3/c1-3-22-15-10-19(2)13(8-14(15)20)16(21)18-9-11-6-4-5-7-12(11)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)
InChIKeyVHFASNVNRBTPOZ-UHFFFAOYSA-N
XLogP2.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide (CID 30859018) is N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide is CCOc1cn(C)c(C(=O)NCc2ccccc2Cl)cc1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is VHFASNVNRBTPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-22-15-10-19(2)13(8-14(15)20)16(21)18-9-11-6-4-5-7-12(11)17/h4-8,10H,3,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 30859018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).