7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one

C24H33N5O2 — CID 118399996

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3CC)nc1
InChIInChI=1S/C24H33N5O2/c1-6-28(7-2)11-12-31-19-9-10-22(26-16-19)27-23-14-21-18(15-25-23)13-20(17(4)5)24(30)29(21)8-3/h9-10,13-17H,6-8,11-12H2,1-5H3,(H,25,26,27)
InChIKeyPJTDZXIEHYQSQR-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.40
Rot. Bonds10

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 118399996) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID118399996
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3CC)nc1
InChIInChI=1S/C24H33N5O2/c1-6-28(7-2)11-12-31-19-9-10-22(26-16-19)27-23-14-21-18(15-25-23)13-20(17(4)5)24(30)29(21)8-3/h9-10,13-17H,6-8,11-12H2,1-5H3,(H,25,26,27)
InChIKeyPJTDZXIEHYQSQR-UHFFFAOYSA-N
XLogP4.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one (CID 118399996) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3CC)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is PJTDZXIEHYQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-6-28(7-2)11-12-31-19-9-10-22(26-16-19)27-23-14-21-18(15-25-23)13-20(17(4)5)24(30)29(21)8-3/h9-10,13-17H,6-8,11-12H2,1-5H3,(H,25,26,27).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 423.56 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118399996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).