N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

C19H20F2N2O2 — CID 172665102

IUPACN-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C19H20F2N2O2/c1-12-8-9-23(13(2)14-6-4-3-5-7-14)18(25)16(12)17(24)22-15-10-19(20,21)11-15/h3-9,13,15H,10-11H2,1-2H3,(H,22,24)
InChIKeyPMDAUCWEALJBHX-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.29
Rot. Bonds4

About N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide

N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 172665102) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID172665102
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C19H20F2N2O2/c1-12-8-9-23(13(2)14-6-4-3-5-7-14)18(25)16(12)17(24)22-15-10-19(20,21)11-15/h3-9,13,15H,10-11H2,1-2H3,(H,22,24)
InChIKeyPMDAUCWEALJBHX-UHFFFAOYSA-N
XLogP3.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172658398
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172656517
4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide
CID 172668586
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172659116
4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
CID 172662740
1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
N-[3-(dimethylcarbamoyl)-2-methylphenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172665792
4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one
CID 172655218
N-[3-(2-hydroxyethoxy)phenyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172664088
1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 172655296
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 82117080

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide (CID 172665102) is N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is PMDAUCWEALJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-8-9-23(13(2)14-6-4-3-5-7-14)18(25)16(12)17(24)22-15-10-19(20,21)11-15/h3-9,13,15H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide?
N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172665102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).