6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C25H33N5O2 — CID 136795919

IUPAC6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc(C4CCN(C(=O)c5ccccn5)CC4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C25H33N5O2/c1-17-5-7-19(8-6-17)30-15-11-21-20(16-30)24(31)28-23(27-21)18-9-13-29(14-10-18)25(32)22-4-2-3-12-26-22/h2-4,12,17-19H,5-11,13-16H2,1H3,(H,27,28,31)
InChIKeyXAKBPFXGZTZMCX-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.12
Rot. Bonds3

About 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795919) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136795919
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc(C4CCN(C(=O)c5ccccn5)CC4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C25H33N5O2/c1-17-5-7-19(8-6-17)30-15-11-21-20(16-30)24(31)28-23(27-21)18-9-13-29(14-10-18)25(32)22-4-2-3-12-26-22/h2-4,12,17-19H,5-11,13-16H2,1H3,(H,27,28,31)
InChIKeyXAKBPFXGZTZMCX-UHFFFAOYSA-N
XLogP3.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylcyclohexyl)-2-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891805
6-(4-methylcyclohexyl)-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796146
6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891771
6-cyclopentyl-2-[(3R)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891613
6-(4-methylcyclohexyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891810
7-[(2-methoxyphenyl)methyl]-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136850538
6-butanoyl-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795974
6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909
6-(2-cyclopentylacetyl)-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796380
6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796401
6-cyclopentyl-2-[(3S)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136850300
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796755

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795919) is 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CCC(N2CCc3nc(C4CCN(C(=O)c5ccccn5)CC4)[nH]c(=O)c3C2)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XAKBPFXGZTZMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-17-5-7-19(8-6-17)30-15-11-21-20(16-30)24(31)28-23(27-21)18-9-13-29(14-10-18)25(32)22-4-2-3-12-26-22/h2-4,12,17-19H,5-11,13-16H2,1H3,(H,27,28,31).
What are the key properties of 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 435.57 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).