8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one

C22H20N4O — CID 1383249

IUPAC8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(NCc2ccccc2)nc2c1ccc(=O)n2Cc1ccccc1
InChIInChI=1S/C22H20N4O/c1-16-19-12-13-20(27)26(15-18-10-6-3-7-11-18)21(19)25-22(24-16)23-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3,(H,23,24,25)
InChIKeyCTQKOAQOECCLPF-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.76
Rot. Bonds5

About 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one

8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 1383249) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID1383249
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(NCc2ccccc2)nc2c1ccc(=O)n2Cc1ccccc1
InChIInChI=1S/C22H20N4O/c1-16-19-12-13-20(27)26(15-18-10-6-3-7-11-18)21(19)25-22(24-16)23-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3,(H,23,24,25)
InChIKeyCTQKOAQOECCLPF-UHFFFAOYSA-N
XLogP3.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 1383249) is 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(NCc2ccccc2)nc2c1ccc(=O)n2Cc1ccccc1.
What is the InChIKey of 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CTQKOAQOECCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-19-12-13-20(27)26(15-18-10-6-3-7-11-18)21(19)25-22(24-16)23-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3,(H,23,24,25).
What are the key properties of 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one?
8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 356.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 1383249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).