1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one

C22H36N6O — CID 20790377

IUPAC1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one
SMILESCc1cc(N2CCCCC2)nc2c1c(=O)cc(NCCN(C)C)n2CCN(C)C
InChIInChI=1S/C22H36N6O/c1-17-15-20(27-10-7-6-8-11-27)24-22-21(17)18(29)16-19(23-9-12-25(2)3)28(22)14-13-26(4)5/h15-16,23H,6-14H2,1-5H3
InChIKeyWNRJOYMMLMZGIG-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.23
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one

1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one (PubChem CID 20790377) has the molecular formula C22H36N6O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one
PubChem CID20790377
Molecular FormulaC22H36N6O
Molecular Weight400.57 g/mol
Exact Mass400.30
IUPAC Name1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one
SMILESCc1cc(N2CCCCC2)nc2c1c(=O)cc(NCCN(C)C)n2CCN(C)C
InChIInChI=1S/C22H36N6O/c1-17-15-20(27-10-7-6-8-11-27)24-22-21(17)18(29)16-19(23-9-12-25(2)3)28(22)14-13-26(4)5/h15-16,23H,6-14H2,1-5H3
InChIKeyWNRJOYMMLMZGIG-UHFFFAOYSA-N
XLogP2.23
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one (CID 20790377) is 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one is Cc1cc(N2CCCCC2)nc2c1c(=O)cc(NCCN(C)C)n2CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
The InChIKey is WNRJOYMMLMZGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O/c1-17-15-20(27-10-7-6-8-11-27)24-22-21(17)18(29)16-19(23-9-12-25(2)3)28(22)14-13-26(4)5/h15-16,23H,6-14H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one?
1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one has a molecular weight of 400.57 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-[2-(dimethylamino)ethylamino]-5-methyl-7-piperidin-1-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).