1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide

C25H25FN2O2 — CID 91955095

IUPAC1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H25FN2O2/c26-21-10-12-22(13-11-21)28-17-19(9-14-23(28)29)24(30)27-18-25(15-5-2-6-16-25)20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,27,30)
InChIKeyOJOHARXGOXMWDA-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 91955095) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID91955095
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H25FN2O2/c26-21-10-12-22(13-11-21)28-17-19(9-14-23(28)29)24(30)27-18-25(15-5-2-6-16-25)20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,27,30)
InChIKeyOJOHARXGOXMWDA-UHFFFAOYSA-N
XLogP4.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
2-methyl-1,3-dioxo-N-[(1-phenylcyclopentyl)methyl]isoindole-5-carboxamide
CID 24586290
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91954145
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91954418
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 91955063
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide (CID 91955095) is 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1(c2ccccc2)CCCCC1)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is OJOHARXGOXMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-21-10-12-22(13-11-21)28-17-19(9-14-23(28)29)24(30)27-18-25(15-5-2-6-16-25)20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,27,30).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91955095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).