N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide

C21H24F2N2O2 — CID 162658812

IUPACN-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24F2N2O2/c1-14-19(23)12-18(20(26)24-17-6-4-2-3-5-7-17)21(27)25(14)13-15-8-10-16(22)11-9-15/h8-12,17H,2-7,13H2,1H3,(H,24,26)
InChIKeyJVXRSOAAKCNGDD-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.94
Rot. Bonds4

About N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide

N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 162658812) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID162658812
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC NameN-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24F2N2O2/c1-14-19(23)12-18(20(26)24-17-6-4-2-3-5-7-17)21(27)25(14)13-15-8-10-16(22)11-9-15/h8-12,17H,2-7,13H2,1H3,(H,24,26)
InChIKeyJVXRSOAAKCNGDD-UHFFFAOYSA-N
XLogP3.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide (CID 162658812) is N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide is Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is JVXRSOAAKCNGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-14-19(23)12-18(20(26)24-17-6-4-2-3-5-7-17)21(27)25(14)13-15-8-10-16(22)11-9-15/h8-12,17H,2-7,13H2,1H3,(H,24,26).
What are the key properties of N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-fluoro-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162658812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).