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

C21H25FN2O3 — CID 42441335

IUPACN-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide
SMILESCn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C21H25FN2O3/c1-24-13-20(27-14-15-8-10-16(22)11-9-15)19(25)12-18(24)21(26)23-17-6-4-2-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,23,26)
InChIKeyIWZRRIAJGYYTDK-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.56
Rot. Bonds5

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

N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide (PubChem CID 42441335) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide
PubChem CID42441335
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide
SMILESCn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C21H25FN2O3/c1-24-13-20(27-14-15-8-10-16(22)11-9-15)19(25)12-18(24)21(26)23-17-6-4-2-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,23,26)
InChIKeyIWZRRIAJGYYTDK-UHFFFAOYSA-N
XLogP3.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide (CID 42441335) is N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide is Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is IWZRRIAJGYYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-24-13-20(27-14-15-8-10-16(22)11-9-15)19(25)12-18(24)21(26)23-17-6-4-2-3-5-7-17/h8-13,17H,2-7,14H2,1H3,(H,23,26).
What are the key properties of N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide?
N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(4-fluorophenyl)methoxy]-1-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 42441335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).