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

C25H35N5O3 — CID 118399997

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3CCOC)nc1
InChIInChI=1S/C25H35N5O3/c1-6-29(7-2)10-13-33-20-8-9-23(27-17-20)28-24-15-22-19(16-26-24)14-21(18(3)4)25(31)30(22)11-12-32-5/h8-9,14-18H,6-7,10-13H2,1-5H3,(H,26,27,28)
InChIKeyRXPFQNZLANOZHM-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.03
Rot. Bonds12

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

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 118399997) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID118399997
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3CCOC)nc1
InChIInChI=1S/C25H35N5O3/c1-6-29(7-2)10-13-33-20-8-9-23(27-17-20)28-24-15-22-19(16-26-24)14-21(18(3)4)25(31)30(22)11-12-32-5/h8-9,14-18H,6-7,10-13H2,1-5H3,(H,26,27,28)
InChIKeyRXPFQNZLANOZHM-UHFFFAOYSA-N
XLogP4.03
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one (CID 118399997) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(C(C)C)c(=O)n3CCOC)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is RXPFQNZLANOZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-6-29(7-2)10-13-33-20-8-9-23(27-17-20)28-24-15-22-19(16-26-24)14-21(18(3)4)25(31)30(22)11-12-32-5/h8-9,14-18H,6-7,10-13H2,1-5H3,(H,26,27,28).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 453.59 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(2-methoxyethyl)-3-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 118399997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).