2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one

C52H57N13O4 — CID 87192280

IUPAC2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
SMILESCNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cnc(N)c(C)c3)cc3cc[nH]c(=O)c23)cc1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC(N(C)C)C4)cc3)n2)n1
InChIInChI=1S/C27H31N7O2.C25H26N6O2/c1-33(2)21-10-13-34(17-21)12-9-18-4-6-20(7-5-18)30-26-25-19(8-11-29-27(25)35)14-22(32-26)23-15-28-16-24(31-23)36-3;1-14-11-16(13-29-21(14)26)19-12-15-9-10-28-23(32)20(15)22(31-19)30-18-7-5-17(6-8-18)25(2,3)24(33)27-4/h4-8,11,14-16,21H,9-10,12-13,17H2,1-3H3,(H,29,35)(H,30,32);5-13H,1-4H3,(H2,26,29)(H,27,33)(H,28,32)(H,30,31)
InChIKeyZETDUVSUZYKVPC-UHFFFAOYSA-N
MW928.12 g/mol
LogP6.95
Rot. Bonds13

About 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one

2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 87192280) has the molecular formula C52H57N13O4 and a molecular weight of 928.12 g/mol. Its IUPAC name is 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
PubChem CID87192280
Molecular FormulaC52H57N13O4
Molecular Weight928.12 g/mol
Exact Mass927.47
IUPAC Name2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
SMILESCNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cnc(N)c(C)c3)cc3cc[nH]c(=O)c23)cc1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC(N(C)C)C4)cc3)n2)n1
InChIInChI=1S/C27H31N7O2.C25H26N6O2/c1-33(2)21-10-13-34(17-21)12-9-18-4-6-20(7-5-18)30-26-25-19(8-11-29-27(25)35)14-22(32-26)23-15-28-16-24(31-23)36-3;1-14-11-16(13-29-21(14)26)19-12-15-9-10-28-23(32)20(15)22(31-19)30-18-7-5-17(6-8-18)25(2,3)24(33)27-4/h4-8,11,14-16,21H,9-10,12-13,17H2,1-3H3,(H,29,35)(H,30,32);5-13H,1-4H3,(H2,26,29)(H,27,33)(H,28,32)(H,30,31)
InChIKeyZETDUVSUZYKVPC-UHFFFAOYSA-N
XLogP6.95
TPSA225.06 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500928.12
LogP ≤ 56.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (CID 87192280) is 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is CNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cnc(N)c(C)c3)cc3cc[nH]c(=O)c23)cc1.COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCC(N(C)C)C4)cc3)n2)n1.
What is the InChIKey of 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is ZETDUVSUZYKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2.C25H26N6O2/c1-33(2)21-10-13-34(17-21)12-9-18-4-6-20(7-5-18)30-26-25-19(8-11-29-27(25)35)14-22(32-26)23-15-28-16-24(31-23)36-3;1-14-11-16(13-29-21(14)26)19-12-15-9-10-28-23(32)20(15)22(31-19)30-18-7-5-17(6-8-18)25(2,3)24(33)27-4/h4-8,11,14-16,21H,9-10,12-13,17H2,1-3H3,(H,29,35)(H,30,32);5-13H,1-4H3,(H2,26,29)(H,27,33)(H,28,32)(H,30,31).
What are the key properties of 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?
2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 928.12 g/mol, XLogP of 6.95, 13 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(6-amino-5-methyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]-N,2-dimethylpropanamide;8-[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 87192280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).