3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

C24H27N5O2 — CID 163348733

IUPAC3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c(=O)c1C
InChIInChI=1S/C24H27N5O2/c1-15-16(2)26-14-29(24(15)31)13-22(30)28-9-7-18(8-10-28)21-6-5-19-11-20(17-3-4-17)12-25-23(19)27-21/h5-6,11-12,14,17-18H,3-4,7-10,13H2,1-2H3
InChIKeyUNWQMNGWDSLQAK-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.09
Rot. Bonds4

About 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one

3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 163348733) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
PubChem CID163348733
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c(=O)c1C
InChIInChI=1S/C24H27N5O2/c1-15-16(2)26-14-29(24(15)31)13-22(30)28-9-7-18(8-10-28)21-6-5-19-11-20(17-3-4-17)12-25-23(19)27-21/h5-6,11-12,14,17-18H,3-4,7-10,13H2,1-2H3
InChIKeyUNWQMNGWDSLQAK-UHFFFAOYSA-N
XLogP3.09
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one (CID 163348733) is 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c(=O)c1C.
What is the InChIKey of 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is UNWQMNGWDSLQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-16(2)26-14-29(24(15)31)13-22(30)28-9-7-18(8-10-28)21-6-5-19-11-20(17-3-4-17)12-25-23(19)27-21/h5-6,11-12,14,17-18H,3-4,7-10,13H2,1-2H3.
What are the key properties of 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one?
3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 417.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 163348733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).