2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C24H37N5O2 — CID 110260924

IUPAC2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(N2CCCC2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1
InChIInChI=1S/C24H37N5O2/c1-16(2)9-15-29-22(31)8-7-20-17(3)25-23(26-24(20)29)21-6-5-12-28(21)19-10-13-27(14-11-19)18(4)30/h16,19,21H,5-15H2,1-4H3
InChIKeyOPNYBWMVMVAKPF-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110260924) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110260924
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC Name2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)N1CCC(N2CCCC2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1
InChIInChI=1S/C24H37N5O2/c1-16(2)9-15-29-22(31)8-7-20-17(3)25-23(26-24(20)29)21-6-5-12-28(21)19-10-13-27(14-11-19)18(4)30/h16,19,21H,5-15H2,1-4H3
InChIKeyOPNYBWMVMVAKPF-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110260924) is 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCC(N2CCCC2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1.
What is the InChIKey of 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OPNYBWMVMVAKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-16(2)9-15-29-22(31)8-7-20-17(3)25-23(26-24(20)29)21-6-5-12-28(21)19-10-13-27(14-11-19)18(4)30/h16,19,21H,5-15H2,1-4H3.
What are the key properties of 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 427.59 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110260924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).