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

C25H31N5O3 — CID 136796377

IUPAC6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CC1CCCC1)N1CCc2nc(C3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1
InChIInChI=1S/C25H31N5O3/c31-22(14-17-6-1-2-7-17)29-13-10-20-19(16-29)24(32)28-23(27-20)21-9-3-4-12-30(21)25(33)18-8-5-11-26-15-18/h5,8,11,15,17,21H,1-4,6-7,9-10,12-14,16H2,(H,27,28,32)
InChIKeyJXEUFPGFDDECSO-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.00
Rot. Bonds4

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

6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796377) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796377
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CC1CCCC1)N1CCc2nc(C3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1
InChIInChI=1S/C25H31N5O3/c31-22(14-17-6-1-2-7-17)29-13-10-20-19(16-29)24(32)28-23(27-20)21-9-3-4-12-30(21)25(33)18-8-5-11-26-15-18/h5,8,11,15,17,21H,1-4,6-7,9-10,12-14,16H2,(H,27,28,32)
InChIKeyJXEUFPGFDDECSO-UHFFFAOYSA-N
XLogP3.00
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-benzoylpiperidin-2-yl]-6-(pyridine-3-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682010
6-(2-cyclopentylacetyl)-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796380
7-acetyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774910
6-(2-cyclopentylacetyl)-2-[(2R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891746
2-[(2R)-1-benzoylpiperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682002
6-propan-2-ylsulfonyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891315
6-(2-cyclohexylacetyl)-2-(1-propanoylpyrrolidin-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796842
2-[(2S)-1-benzoylpiperidin-2-yl]-6-(2-methoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869518
2-[(2R)-1-(cyclohexanecarbonyl)piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681511
2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-7-(thiophene-2-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681483
6-(cyclopropanecarbonyl)-2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681348
2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681515

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796377) is 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(CC1CCCC1)N1CCc2nc(C3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JXEUFPGFDDECSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c31-22(14-17-6-1-2-7-17)29-13-10-20-19(16-29)24(32)28-23(27-20)21-9-3-4-12-30(21)25(33)18-8-5-11-26-15-18/h5,8,11,15,17,21H,1-4,6-7,9-10,12-14,16H2,(H,27,28,32).
What are the key properties of 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 449.56 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).