N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C19H22ClFN2O2 — CID 172655796

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C19H22ClFN2O2/c1-12(2)6-8-23-9-7-13(3)17(19(23)25)18(24)22-11-14-4-5-15(20)16(21)10-14/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,22,24)
InChIKeyGWNMOKJXBBZCAR-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.93
Rot. Bonds6

About N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172655796) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172655796
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C19H22ClFN2O2/c1-12(2)6-8-23-9-7-13(3)17(19(23)25)18(24)22-11-14-4-5-15(20)16(21)10-14/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,22,24)
InChIKeyGWNMOKJXBBZCAR-UHFFFAOYSA-N
XLogP3.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172656647
1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172672420
N-[(3,4-difluorophenyl)methyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172671574
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172672641
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172666099
N-(2-hydroxy-6-methylphenyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172665336
4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172669432
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
4-methyl-1-(3-methylbutyl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 172660892
N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172671237
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172655796) is N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)NCc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is GWNMOKJXBBZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-12(2)6-8-23-9-7-13(3)17(19(23)25)18(24)22-11-14-4-5-15(20)16(21)10-14/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,22,24).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172655796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).