2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H30N4O2 — CID 136797154

IUPAC2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1
InChIInChI=1S/C20H30N4O2/c1-2-5-18(25)24-10-8-14(12-24)19-21-17-9-11-23(15-6-3-4-7-15)13-16(17)20(26)22-19/h14-15H,2-13H2,1H3,(H,21,22,26)
InChIKeyLIGVODJQVUEMGS-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.19
Rot. Bonds4

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

2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136797154) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136797154
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1
InChIInChI=1S/C20H30N4O2/c1-2-5-18(25)24-10-8-14(12-24)19-21-17-9-11-23(15-6-3-4-7-15)13-16(17)20(26)22-19/h14-15H,2-13H2,1H3,(H,21,22,26)
InChIKeyLIGVODJQVUEMGS-UHFFFAOYSA-N
XLogP2.19
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136797154) is 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C2CCCC2)CC3)C1.
What is the InChIKey of 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LIGVODJQVUEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-5-18(25)24-10-8-14(12-24)19-21-17-9-11-23(15-6-3-4-7-15)13-16(17)20(26)22-19/h14-15H,2-13H2,1H3,(H,21,22,26).
What are the key properties of 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 358.49 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butanoylpyrrolidin-3-yl)-6-cyclopentyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136797154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).