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

C25H35N5O2 — CID 118399994

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C(C)C)nc1
InChIInChI=1S/C25H35N5O2/c1-7-29(8-2)11-12-32-20-9-10-23(27-16-20)28-24-14-22-19(15-26-24)13-21(17(3)4)25(31)30(22)18(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3,(H,26,27,28)
InChIKeyUMOCCYIYPYPWTI-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.96
Rot. Bonds10

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

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one (PubChem CID 118399994) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one
PubChem CID118399994
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C(C)C)nc1
InChIInChI=1S/C25H35N5O2/c1-7-29(8-2)11-12-32-20-9-10-23(27-16-20)28-24-14-22-19(15-26-24)13-21(17(3)4)25(31)30(22)18(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3,(H,26,27,28)
InChIKeyUMOCCYIYPYPWTI-UHFFFAOYSA-N
XLogP4.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.96
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]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one (CID 118399994) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C(C)C)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one?
The InChIKey is UMOCCYIYPYPWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-7-29(8-2)11-12-32-20-9-10-23(27-16-20)28-24-14-22-19(15-26-24)13-21(17(3)4)25(31)30(22)18(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3,(H,26,27,28).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one has a molecular weight of 437.59 g/mol, XLogP of 4.96, 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]-1,3-di(propan-2-yl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118399994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).