2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide

C19H18FN3O2 — CID 91648575

IUPAC2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1ccncc1NC(=O)C(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O2/c1-13-6-9-21-12-17(13)22-18(24)19(25)23-10-7-14(8-11-23)15-4-2-3-5-16(15)20/h2-7,9,12H,8,10-11H2,1H3,(H,22,24)
InChIKeyCYRQSJFITWFRMJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.78
Rot. Bonds2

About 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide

2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide (PubChem CID 91648575) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
PubChem CID91648575
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide
SMILESCc1ccncc1NC(=O)C(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O2/c1-13-6-9-21-12-17(13)22-18(24)19(25)23-10-7-14(8-11-23)15-4-2-3-5-16(15)20/h2-7,9,12H,8,10-11H2,1H3,(H,22,24)
InChIKeyCYRQSJFITWFRMJ-UHFFFAOYSA-N
XLogP2.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-fluorophenyl)-2,5-dihydropyrrol-1-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 155951016
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
(2S)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 97309807
(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 97309808
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxy-3-pyridinyl)-2-oxoacetamide
CID 75526158
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
tert-butyl 4-isoquinolin-8-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 21070952
3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 151683948
(2S,3R)-3-(1,3-benzothiazol-2-yl)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,3-dihydroxypropan-1-one
CID 99641854
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide (CID 91648575) is 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide is Cc1ccncc1NC(=O)C(=O)N1CC=C(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
The InChIKey is CYRQSJFITWFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-6-9-21-12-17(13)22-18(24)19(25)23-10-7-14(8-11-23)15-4-2-3-5-16(15)20/h2-7,9,12H,8,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide?
2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide has a molecular weight of 339.37 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-3-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 91648575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).