6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H24N4O2 — CID 177383001

IUPAC6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(CNc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C22H24N4O2/c1-28-18-9-5-8-17(12-18)13-23-22-24-20-10-11-26(15-19(20)21(27)25-22)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H2,23,24,25,27)
InChIKeyYANDENOVWCIVMB-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.95
Rot. Bonds6

About 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177383001) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177383001
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(CNc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C22H24N4O2/c1-28-18-9-5-8-17(12-18)13-23-22-24-20-10-11-26(15-19(20)21(27)25-22)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H2,23,24,25,27)
InChIKeyYANDENOVWCIVMB-UHFFFAOYSA-N
XLogP2.95
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177383001) is 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cccc(CNc2nc3c(c(=O)[nH]2)CN(Cc2ccccc2)CC3)c1.
What is the InChIKey of 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YANDENOVWCIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-18-9-5-8-17(12-18)13-23-22-24-20-10-11-26(15-19(20)21(27)25-22)14-16-6-3-2-4-7-16/h2-9,12H,10-11,13-15H2,1H3,(H2,23,24,25,27).
What are the key properties of 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177383001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).