5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one

C21H18N4O2 — CID 72908260

IUPAC5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H18N4O2/c26-20-18(14-23-19(24-20)17-7-4-10-22-13-17)21(27)25-11-8-16(9-12-25)15-5-2-1-3-6-15/h1-8,10,13-14H,9,11-12H2,(H,23,24,26)
InChIKeyOTKGKFQOVGMLQF-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.76
Rot. Bonds3

About 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one

5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 72908260) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
PubChem CID72908260
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
SMILESO=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H18N4O2/c26-20-18(14-23-19(24-20)17-7-4-10-22-13-17)21(27)25-11-8-16(9-12-25)15-5-2-1-3-6-15/h1-8,10,13-14H,9,11-12H2,(H,23,24,26)
InChIKeyOTKGKFQOVGMLQF-UHFFFAOYSA-N
XLogP2.76
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157745
1-Ethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 651452
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-{2-oxo-6-phenyl-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl}acetamide
CID 11762589
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
3-Phenethyl-2-((E)-2-pyridin-3-yl-vinyl)-3H-quinazolin-4-one
CID 5293677
4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 836347
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one (CID 72908260) is 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one is O=C(c1cnc(-c2cccnc2)[nH]c1=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
The InChIKey is OTKGKFQOVGMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-18(14-23-19(24-20)17-7-4-10-22-13-17)21(27)25-11-8-16(9-12-25)15-5-2-1-3-6-15/h1-8,10,13-14H,9,11-12H2,(H,23,24,26).
What are the key properties of 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one?
5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 358.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 72908260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).