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

C26H35N5O2 — CID 118271421

IUPAC1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C2CCC2)nc1
InChIInChI=1S/C26H35N5O2/c1-5-30(6-2)12-13-33-21-10-11-24(28-17-21)29-25-15-23-19(16-27-25)14-22(18(3)4)26(32)31(23)20-8-7-9-20/h10-11,14-18,20H,5-9,12-13H2,1-4H3,(H,27,28,29)
InChIKeyQMDJLDJRQZOBLY-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.10
Rot. Bonds10

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

1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 118271421) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID118271421
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C2CCC2)nc1
InChIInChI=1S/C26H35N5O2/c1-5-30(6-2)12-13-33-21-10-11-24(28-17-21)29-25-15-23-19(16-27-25)14-22(18(3)4)26(32)31(23)20-8-7-9-20/h10-11,14-18,20H,5-9,12-13H2,1-4H3,(H,27,28,29)
InChIKeyQMDJLDJRQZOBLY-UHFFFAOYSA-N
XLogP5.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one (CID 118271421) is 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3C2CCC2)nc1.
What is the InChIKey of 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is QMDJLDJRQZOBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-5-30(6-2)12-13-33-21-10-11-24(28-17-21)29-25-15-23-19(16-27-25)14-22(18(3)4)26(32)31(23)20-8-7-9-20/h10-11,14-18,20H,5-9,12-13H2,1-4H3,(H,27,28,29).
What are the key properties of 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one?
1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 449.60 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).