5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C24H24FN3O3 — CID 129300479

IUPAC5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cc3)c2=O)cn1
InChIInChI=1S/C24H24FN3O3/c1-16-2-7-20(12-26-16)27-24(30)22-15-28(13-17-8-10-31-11-9-17)14-21(23(22)29)18-3-5-19(25)6-4-18/h2-7,12,14-15,17H,8-11,13H2,1H3,(H,27,30)
InChIKeyQMSHOQLWQCWSAL-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.04
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 129300479) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
PubChem CID129300479
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cc3)c2=O)cn1
InChIInChI=1S/C24H24FN3O3/c1-16-2-7-20(12-26-16)27-24(30)22-15-28(13-17-8-10-31-11-9-17)14-21(23(22)29)18-3-5-19(25)6-4-18/h2-7,12,14-15,17H,8-11,13H2,1H3,(H,27,30)
InChIKeyQMSHOQLWQCWSAL-UHFFFAOYSA-N
XLogP4.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[4-amino-7-(oxolan-3-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 135198321
N-[4-[4-amino-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 135198296
N-[4-[4-amino-7-(1-methylazepan-4-yl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 135198028
N-[4-[2-amino-5-(2-methoxy-6-methyl-4-pyridinyl)-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135695
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110694
N-[4-[2-amino-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 129110647
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(4-bromophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110706
[2-[2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-pyridinyl]-5-[[5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carbonyl]amino]-3-pyridinyl]methanesulfonic acid
CID 134561293
N-[4-[2-amino-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
CID 129110657
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(4-cyanophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300293
N-[6-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135107
ethyl 5-(3,5-difluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylate
CID 135198344

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 129300479) is 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2cn(CC3CCOCC3)cc(-c3ccc(F)cc3)c2=O)cn1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The InChIKey is QMSHOQLWQCWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-16-2-7-20(12-26-16)27-24(30)22-15-28(13-17-8-10-31-11-9-17)14-21(23(22)29)18-3-5-19(25)6-4-18/h2-7,12,14-15,17H,8-11,13H2,1H3,(H,27,30).
What are the key properties of 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 129300479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).