6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one

C24H23N5O3 — CID 58093834

IUPAC6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESNc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCOCC4)cc3)n2)cn1
InChIInChI=1S/C24H23N5O3/c25-21-6-1-16(14-27-21)20-13-15-7-10-26-24(30)22(15)23(29-20)28-17-2-4-18(5-3-17)32-19-8-11-31-12-9-19/h1-7,10,13-14,19H,8-9,11-12H2,(H2,25,27)(H,26,30)(H,28,29)
InChIKeySUOAFGVEQJKTGC-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.87
Rot. Bonds5

About 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one

6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093834) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093834
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESNc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCOCC4)cc3)n2)cn1
InChIInChI=1S/C24H23N5O3/c25-21-6-1-16(14-27-21)20-13-15-7-10-26-24(30)22(15)23(29-20)28-17-2-4-18(5-3-17)32-19-8-11-31-12-9-19/h1-7,10,13-14,19H,8-9,11-12H2,(H2,25,27)(H,26,30)(H,28,29)
InChIKeySUOAFGVEQJKTGC-UHFFFAOYSA-N
XLogP3.87
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one (CID 58093834) is 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one is Nc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCOCC4)cc3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is SUOAFGVEQJKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c25-21-6-1-16(14-27-21)20-13-15-7-10-26-24(30)22(15)23(29-20)28-17-2-4-18(5-3-17)32-19-8-11-31-12-9-19/h1-7,10,13-14,19H,8-9,11-12H2,(H2,25,27)(H,26,30)(H,28,29).
What are the key properties of 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one?
6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 429.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).