6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H18N4O — CID 136731142

IUPAC6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H18N4O/c24-19-16-13-23(12-14-4-2-1-3-5-14)11-8-17(16)21-18(22-19)15-6-9-20-10-7-15/h1-7,9-10H,8,11-13H2,(H,21,22,24)
InChIKeyXGTSOQJTXUBYRQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.39
Rot. Bonds3

About 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136731142) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136731142
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H18N4O/c24-19-16-13-23(12-14-4-2-1-3-5-14)11-8-17(16)21-18(22-19)15-6-9-20-10-7-15/h1-7,9-10H,8,11-13H2,(H,21,22,24)
InChIKeyXGTSOQJTXUBYRQ-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
2-(Pyridin-4-yl)quinazolin-4-ol
CID 135412668
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
3-Phenethyl-2-((E)-2-pyridin-3-yl-vinyl)-3H-quinazolin-4-one
CID 5293677
Piricualona
CID 6015423
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
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
7-Phenyl-5,6-dihydro-1,6-naphthyridin-5-one
CID 14713041

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136731142) is 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XGTSOQJTXUBYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19-16-13-23(12-14-4-2-1-3-5-14)11-8-17(16)21-18(22-19)15-6-9-20-10-7-15/h1-7,9-10H,8,11-13H2,(H,21,22,24).
What are the key properties of 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 318.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136731142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).