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

C26H29N5O — CID 92618628

IUPAC2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C26H29N5O/c1-19-22-13-14-24(32)31(18-21-11-5-7-15-27-21)26(22)29-25(28-19)23-12-6-8-16-30(23)17-20-9-3-2-4-10-20/h2-5,7,9-11,15,23H,6,8,12-14,16-18H2,1H3/t23-/m1/s1
InChIKeyPGHCZNXMYBFCFO-HSZRJFAPSA-N
MW427.55 g/mol
LogP4.39
Rot. Bonds5

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

2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92618628) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92618628
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1
InChIInChI=1S/C26H29N5O/c1-19-22-13-14-24(32)31(18-21-11-5-7-15-27-21)26(22)29-25(28-19)23-12-6-8-16-30(23)17-20-9-3-2-4-10-20/h2-5,7,9-11,15,23H,6,8,12-14,16-18H2,1H3/t23-/m1/s1
InChIKeyPGHCZNXMYBFCFO-HSZRJFAPSA-N
XLogP4.39
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92618628) is 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccccn1.
What is the InChIKey of 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PGHCZNXMYBFCFO-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N5O/c1-19-22-13-14-24(32)31(18-21-11-5-7-15-27-21)26(22)29-25(28-19)23-12-6-8-16-30(23)17-20-9-3-2-4-10-20/h2-5,7,9-11,15,23H,6,8,12-14,16-18H2,1H3/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 427.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92618628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).