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

C21H25FN2O2 — CID 162662575

IUPACN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-15-8-13-19(20(25)23-18-6-4-2-3-5-7-18)21(26)24(15)14-16-9-11-17(22)12-10-16/h8-13,18H,2-7,14H2,1H3,(H,23,25)
InChIKeyCILYORNSOFTGAH-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.80
Rot. Bonds4

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

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 162662575) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID162662575
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O2/c1-15-8-13-19(20(25)23-18-6-4-2-3-5-7-18)21(26)24(15)14-16-9-11-17(22)12-10-16/h8-13,18H,2-7,14H2,1H3,(H,23,25)
InChIKeyCILYORNSOFTGAH-UHFFFAOYSA-N
XLogP3.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide (CID 162662575) is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is CILYORNSOFTGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15-8-13-19(20(25)23-18-6-4-2-3-5-7-18)21(26)24(15)14-16-9-11-17(22)12-10-16/h8-13,18H,2-7,14H2,1H3,(H,23,25).
What are the key properties of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide?
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162662575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).