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

C28H31FN2O3 — CID 162665237

IUPACN-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)17-26(27(32)30-23-7-5-3-4-6-8-23)28(33)31(19)18-20-9-13-22(29)14-10-20/h9-17,23H,3-8,18H2,1-2H3,(H,30,32)
InChIKeyYPSDNJQXGBDEBJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.47
Rot. Bonds6

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

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 162665237) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID162665237
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)17-26(27(32)30-23-7-5-3-4-6-8-23)28(33)31(19)18-20-9-13-22(29)14-10-20/h9-17,23H,3-8,18H2,1-2H3,(H,30,32)
InChIKeyYPSDNJQXGBDEBJ-UHFFFAOYSA-N
XLogP5.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 162665237) is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide is COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c(=O)n(Cc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is YPSDNJQXGBDEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)17-26(27(32)30-23-7-5-3-4-6-8-23)28(33)31(19)18-20-9-13-22(29)14-10-20/h9-17,23H,3-8,18H2,1-2H3,(H,30,32).
What are the key properties of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide?
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162665237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).