3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one

C13H10N4O — CID 91650448

IUPAC3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1ccccn1
InChIInChI=1S/C13H10N4O/c18-13-11-4-6-14-7-12(11)16-9-17(13)8-10-3-1-2-5-15-10/h1-7,9H,8H2
InChIKeyGGNCWWBZOWTIRB-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.23
Rot. Bonds2

About 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one

3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 91650448) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID91650448
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1ccccn1
InChIInChI=1S/C13H10N4O/c18-13-11-4-6-14-7-12(11)16-9-17(13)8-10-3-1-2-5-15-10/h1-7,9H,8H2
InChIKeyGGNCWWBZOWTIRB-UHFFFAOYSA-N
XLogP1.23
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 86817777
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
3-(2-hydroxy-2-phenylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 45212891
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
3-[(1-phenylcyclohexyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39746170
3-(2-ethylsulfanylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 122150073
3-(2-piperidin-1-ylethyl)pyrido[3,4-d]pyrimidin-4-one
CID 99841378
3-[2-hydroxy-3-[2-(trifluoromethyl)phenyl]propyl]pyrido[3,4-d]pyrimidin-4-one
CID 84599267
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 653837

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one (CID 91650448) is 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GGNCWWBZOWTIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13-11-4-6-14-7-12(11)16-9-17(13)8-10-3-1-2-5-15-10/h1-7,9H,8H2.
What are the key properties of 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one?
3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 238.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 91650448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).