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

C27H29FN2O2 — CID 162664878

IUPACN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
SMILESCc1c(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)17-25(26(31)29-23-11-7-2-3-8-12-23)27(32)30(19)18-20-13-15-22(28)16-14-20/h4-6,9-10,13-17,23H,2-3,7-8,11-12,18H2,1H3,(H,29,31)
InChIKeyFAPCTBUKFLTVJH-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.46
Rot. Bonds5

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

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide (PubChem CID 162664878) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
PubChem CID162664878
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC NameN-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide
SMILESCc1c(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)17-25(26(31)29-23-11-7-2-3-8-12-23)27(32)30(19)18-20-13-15-22(28)16-14-20/h4-6,9-10,13-17,23H,2-3,7-8,11-12,18H2,1H3,(H,29,31)
InChIKeyFAPCTBUKFLTVJH-UHFFFAOYSA-N
XLogP5.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.46
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-oxo-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide (CID 162664878) is N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide is Cc1c(-c2ccccc2)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide?
The InChIKey is FAPCTBUKFLTVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)17-25(26(31)29-23-11-7-2-3-8-12-23)27(32)30(19)18-20-13-15-22(28)16-14-20/h4-6,9-10,13-17,23H,2-3,7-8,11-12,18H2,1H3,(H,29,31).
What are the key properties of N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide?
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-5-phenylpyridine-3-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 5.46, 5 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-oxo-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 162664878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).