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

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

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Related Compounds

6-(6-amino-3-pyridinyl)-8-[4-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
CID 58094548
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094107
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58093885
6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
CID 58167367
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094165
6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
CID 58093697

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).