2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H27N5O — CID 135719730

IUPAC2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(CN2CCc3c(nc(N4CCCCC4C)[nH]c3=O)C2)n1
InChIInChI=1S/C20H27N5O/c1-14-6-5-8-16(21-14)12-24-11-9-17-18(13-24)22-20(23-19(17)26)25-10-4-3-7-15(25)2/h5-6,8,15H,3-4,7,9-13H2,1-2H3,(H,22,23,26)
InChIKeyGVTGYXNVTRJXRU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135719730) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135719730
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(CN2CCc3c(nc(N4CCCCC4C)[nH]c3=O)C2)n1
InChIInChI=1S/C20H27N5O/c1-14-6-5-8-16(21-14)12-24-11-9-17-18(13-24)22-20(23-19(17)26)25-10-4-3-7-15(25)2/h5-6,8,15H,3-4,7,9-13H2,1-2H3,(H,22,23,26)
InChIKeyGVTGYXNVTRJXRU-UHFFFAOYSA-N
XLogP2.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-hydroxyphenyl)methyl]-2-(2-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707099
7-[[4-(diethylamino)phenyl]methyl]-2-[(2S)-2-methylpiperidin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888396
2-(2-methylpiperidin-1-yl)-7-(quinoxalin-6-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707103
7-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-[(2S)-2-methylpiperidin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136735247
7-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 24935599
7-[(5-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680848
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
7-(1H-indol-3-ylmethyl)-2-[(3R)-3-methylpiperidin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135963480
2-methyl-7-[(2-methylsulfanylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864862
2-(cyclopropylmethyl)-7-(pyridin-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867230
7-[(3-chlorophenyl)methyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888329
2-tert-butyl-7-[(2,6-dichlorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863965

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135719730) is 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cccc(CN2CCc3c(nc(N4CCCCC4C)[nH]c3=O)C2)n1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GVTGYXNVTRJXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-6-5-8-16(21-14)12-24-11-9-17-18(13-24)22-20(23-19(17)26)25-10-4-3-7-15(25)2/h5-6,8,15H,3-4,7,9-13H2,1-2H3,(H,22,23,26).
What are the key properties of 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 353.47 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-7-[(6-methyl-2-pyridinyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135719730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).