1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide

C47H35N11O4 — CID 159227461

IUPAC1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)n1.O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccnc1
InChIInChI=1S/C24H17N5O2.C23H18N6O2/c30-23(15-4-3-12-25-14-15)28-17-9-7-16(8-10-17)27-20-11-13-26-22-21(20)18-5-1-2-6-19(18)24(31)29-22;1-29-13-11-19(28-29)23(31)26-15-8-6-14(7-9-15)25-18-10-12-24-21-20(18)16-4-2-3-5-17(16)22(30)27-21/h1-14H,(H,28,30)(H2,26,27,29,31);2-13H,1H3,(H,26,31)(H2,24,25,27,30)
InChIKeyKSLXFZQSUPCIQM-UHFFFAOYSA-N
MW817.87 g/mol
LogP8.27
Rot. Bonds8

About 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide

1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 159227461) has the molecular formula C47H35N11O4 and a molecular weight of 817.87 g/mol. Its IUPAC name is 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide
PubChem CID159227461
Molecular FormulaC47H35N11O4
Molecular Weight817.87 g/mol
Exact Mass817.29
IUPAC Name1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)n1.O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccnc1
InChIInChI=1S/C24H17N5O2.C23H18N6O2/c30-23(15-4-3-12-25-14-15)28-17-9-7-16(8-10-17)27-20-11-13-26-22-21(20)18-5-1-2-6-19(18)24(31)29-22;1-29-13-11-19(28-29)23(31)26-15-8-6-14(7-9-15)25-18-10-12-24-21-20(18)16-4-2-3-5-17(16)22(30)27-21/h1-14H,(H,28,30)(H2,26,27,29,31);2-13H,1H3,(H,26,31)(H2,24,25,27,30)
InChIKeyKSLXFZQSUPCIQM-UHFFFAOYSA-N
XLogP8.27
TPSA204.47 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500817.87
LogP ≤ 58.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168277
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide
CID 172703911
N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 58564225
N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
CID 90755546
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
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CID 112989314
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 42110942
2-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 58168035

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide (CID 159227461) is 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)n1.O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccnc1.
What is the InChIKey of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is KSLXFZQSUPCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2.C23H18N6O2/c30-23(15-4-3-12-25-14-15)28-17-9-7-16(8-10-17)27-20-11-13-26-22-21(20)18-5-1-2-6-19(18)24(31)29-22;1-29-13-11-19(28-29)23(31)26-15-8-6-14(7-9-15)25-18-10-12-24-21-20(18)16-4-2-3-5-17(16)22(30)27-21/h1-14H,(H,28,30)(H2,26,27,29,31);2-13H,1H3,(H,26,31)(H2,24,25,27,30).
What are the key properties of 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide?
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 817.87 g/mol, XLogP of 8.27, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 159227461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).