4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C25H28N6O — CID 110268500

IUPAC4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C25H28N6O/c1-18-21-11-12-23(32)31(17-20-9-3-6-14-27-20)25(21)29-24(28-18)22-10-4-7-15-30(22)16-19-8-2-5-13-26-19/h2-3,5-6,8-9,13-14,22H,4,7,10-12,15-17H2,1H3
InChIKeyXYRWFBREJOKCAB-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.78
Rot. Bonds5

About 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110268500) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110268500
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C25H28N6O/c1-18-21-11-12-23(32)31(17-20-9-3-6-14-27-20)25(21)29-24(28-18)22-10-4-7-15-30(22)16-19-8-2-5-13-26-19/h2-3,5-6,8-9,13-14,22H,4,7,10-12,15-17H2,1H3
InChIKeyXYRWFBREJOKCAB-UHFFFAOYSA-N
XLogP3.78
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110268500) is 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccn1.
What is the InChIKey of 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XYRWFBREJOKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-18-21-11-12-23(32)31(17-20-9-3-6-14-27-20)25(21)29-24(28-18)22-10-4-7-15-30(22)16-19-8-2-5-13-26-19/h2-3,5-6,8-9,13-14,22H,4,7,10-12,15-17H2,1H3.
What are the key properties of 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 428.54 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(pyridin-2-ylmethyl)-2-[1-(pyridin-2-ylmethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110268500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).