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

C26H27N5O2 — CID 92629238

IUPAC2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)c3ccccc3)CC2)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C26H27N5O2/c1-18-22-10-11-23(32)31(17-21-9-5-6-14-27-21)25(22)29-24(28-18)19-12-15-30(16-13-19)26(33)20-7-3-2-4-8-20/h2-9,14,19H,10-13,15-17H2,1H3
InChIKeyISSUGGXHYVYHIL-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.68
Rot. Bonds4

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

2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629238) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629238
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(C(=O)c3ccccc3)CC2)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C26H27N5O2/c1-18-22-10-11-23(32)31(17-21-9-5-6-14-27-21)25(22)29-24(28-18)19-12-15-30(16-13-19)26(33)20-7-3-2-4-8-20/h2-9,14,19H,10-13,15-17H2,1H3
InChIKeyISSUGGXHYVYHIL-UHFFFAOYSA-N
XLogP3.68
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629238) is 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(C(=O)c3ccccc3)CC2)nc2c1CCC(=O)N2Cc1ccccn1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ISSUGGXHYVYHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-22-10-11-23(32)31(17-21-9-5-6-14-27-21)25(22)29-24(28-18)19-12-15-30(16-13-19)26(33)20-7-3-2-4-8-20/h2-9,14,19H,10-13,15-17H2,1H3.
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 441.54 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).