1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C20H23N5O2 — CID 95837242

IUPAC1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@H]3CCCCN3Cc3ccccn3)nc2n(C)c1=O
InChIInChI=1S/C20H23N5O2/c1-23-18-15(19(26)24(2)20(23)27)9-10-16(22-18)17-8-4-6-12-25(17)13-14-7-3-5-11-21-14/h3,5,7,9-11,17H,4,6,8,12-13H2,1-2H3/t17-/m1/s1
InChIKeyPLLKWNZSWWDMPL-QGZVFWFLSA-N
MW365.44 g/mol
LogP1.75
Rot. Bonds3

About 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 95837242) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID95837242
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@H]3CCCCN3Cc3ccccn3)nc2n(C)c1=O
InChIInChI=1S/C20H23N5O2/c1-23-18-15(19(26)24(2)20(23)27)9-10-16(22-18)17-8-4-6-12-25(17)13-14-7-3-5-11-21-14/h3,5,7,9-11,17H,4,6,8,12-13H2,1-2H3/t17-/m1/s1
InChIKeyPLLKWNZSWWDMPL-QGZVFWFLSA-N
XLogP1.75
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834526
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264791
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834540
7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834530
8-(cyclohexylamino)-1,3-dimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
CID 23527111
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
methylcyclopentane;1,3,8-trimethyl-7-(pyridin-2-ylmethyl)purine-2,6-dione
CID 143302278
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834547

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 95837242) is 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc([C@H]3CCCCN3Cc3ccccn3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PLLKWNZSWWDMPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-18-15(19(26)24(2)20(23)27)9-10-16(22-18)17-8-4-6-12-25(17)13-14-7-3-5-11-21-14/h3,5,7,9-11,17H,4,6,8,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 365.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95837242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).