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

C27H31N5O2 — CID 73425595

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CC)nc1
InChIInChI=1S/C27H31N5O2/c1-4-31(5-2)14-15-34-22-12-13-25(29-19-22)30-26-17-24-21(18-28-26)16-23(27(33)32(24)6-3)20-10-8-7-9-11-20/h7-13,16-19H,4-6,14-15H2,1-3H3,(H,28,29,30)
InChIKeyNXEPIACAUVNFCK-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.94
Rot. Bonds10

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

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one (PubChem CID 73425595) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
PubChem CID73425595
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CC)nc1
InChIInChI=1S/C27H31N5O2/c1-4-31(5-2)14-15-34-22-12-13-25(29-19-22)30-26-17-24-21(18-28-26)16-23(27(33)32(24)6-3)20-10-8-7-9-11-20/h7-13,16-19H,4-6,14-15H2,1-3H3,(H,28,29,30)
InChIKeyNXEPIACAUVNFCK-UHFFFAOYSA-N
XLogP4.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.94
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-phenyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one (CID 73425595) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CC)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
The InChIKey is NXEPIACAUVNFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-4-31(5-2)14-15-34-22-12-13-25(29-19-22)30-26-17-24-21(18-28-26)16-23(27(33)32(24)6-3)20-10-8-7-9-11-20/h7-13,16-19H,4-6,14-15H2,1-3H3,(H,28,29,30).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-phenyl-1,6-naphthyridin-2-one has a molecular weight of 457.58 g/mol, XLogP of 4.94, 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-phenyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 73425595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).