8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one

C23H22N6O2 — CID 143841349

IUPAC8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILES[H]/N=C/c1ccc(Nc2nc(-c3cncc(OC(C)C)c3)cc3cc[nH]c(=O)c23)cc1N
InChIInChI=1S/C23H22N6O2/c1-13(2)31-18-7-16(11-26-12-18)20-8-14-5-6-27-23(30)21(14)22(29-20)28-17-4-3-15(10-24)19(25)9-17/h3-13,24H,25H2,1-2H3,(H,27,30)(H,28,29)/b24-10+
InChIKeyLWELSEOPWRAHIT-YSURURNPSA-N
MW414.47 g/mol
LogP4.10
Rot. Bonds6

About 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one

8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one (PubChem CID 143841349) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
PubChem CID143841349
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
SMILES[H]/N=C/c1ccc(Nc2nc(-c3cncc(OC(C)C)c3)cc3cc[nH]c(=O)c23)cc1N
InChIInChI=1S/C23H22N6O2/c1-13(2)31-18-7-16(11-26-12-18)20-8-14-5-6-27-23(30)21(14)22(29-20)28-17-4-3-15(10-24)19(25)9-17/h3-13,24H,25H2,1-2H3,(H,27,30)(H,28,29)/b24-10+
InChIKeyLWELSEOPWRAHIT-YSURURNPSA-N
XLogP4.10
TPSA129.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(5-methoxy-3-pyridinyl)-8-[4-(1-methylsulfonylpyrrolidin-3-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093741
6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one
CID 58094538
6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
CID 58093851
6-[5-(aminomethyl)-3-pyridinyl]-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093620
N-methyl-3-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzenesulfonamide
CID 58094203
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 143841447
methyl 2-[4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidin-1-yl]propanoate
CID 58167458
N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
CID 58166750
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094292

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one (CID 143841349) is 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one is [H]/N=C/c1ccc(Nc2nc(-c3cncc(OC(C)C)c3)cc3cc[nH]c(=O)c23)cc1N.
What is the InChIKey of 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is LWELSEOPWRAHIT-YSURURNPSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-13(2)31-18-7-16(11-26-12-18)20-8-14-5-6-27-23(30)21(14)22(29-20)28-17-4-3-15(10-24)19(25)9-17/h3-13,24H,25H2,1-2H3,(H,27,30)(H,28,29)/b24-10+.
What are the key properties of 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one?
8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 414.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-methanimidoylanilino)-6-(5-propan-2-yloxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 143841349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).