5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile

C24H16N6O — CID 135267115

IUPAC5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(N)c5)c4c3n2)cnc1C#N
InChIInChI=1S/C24H16N6O/c1-14-9-16(13-28-21(14)11-25)19-6-7-20-23(29-19)24-15(12-27-20)5-8-22(31)30(24)18-4-2-3-17(26)10-18/h2-10,12-13H,26H2,1H3
InChIKeySUYNCYWBNSUAKO-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.76
Rot. Bonds2

About 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile

5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile (PubChem CID 135267115) has the molecular formula C24H16N6O and a molecular weight of 404.43 g/mol. Its IUPAC name is 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile
PubChem CID135267115
Molecular FormulaC24H16N6O
Molecular Weight404.43 g/mol
Exact Mass404.14
IUPAC Name5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(N)c5)c4c3n2)cnc1C#N
InChIInChI=1S/C24H16N6O/c1-14-9-16(13-28-21(14)11-25)19-6-7-20-23(29-19)24-15(12-27-20)5-8-22(31)30(24)18-4-2-3-17(26)10-18/h2-10,12-13H,26H2,1H3
InChIKeySUYNCYWBNSUAKO-UHFFFAOYSA-N
XLogP3.76
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile with MolForge

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Related Compounds

N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-pyrazine carboxamide
CID 49850567
QL-Xii-03
CID 73776206
1-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 46190794
1-(2-(dimethylamino)ethyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49781041
QL-Xii-54
CID 73776360
N-(Tert-butyl)-2-(pyridin-4-YL)-1,7-naphthyridin-4-amine
CID 135390225
1-(3-cyano-6-fluoroquinolin-4-yl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 137633344
2-[(3S)-3-(2-oxo-9-quinolin-3-ylpyrazino[2,3-c]quinolin-1-yl)piperidin-1-yl]acetonitrile
CID 137643705
1-(3-cyano-6-fluoroquinolin-4-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 137653138
2-[4-(2-Oxo-9-quinolin-3-ylpyrazino[2,3-c]quinolin-1-yl)piperidin-1-yl]acetonitrile
CID 137655716
2-[4-[8-Fluoro-9-(6-methyl-3-pyridinyl)-2-oxopyrazino[2,3-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
CID 137661970
4-[2-[6-(4-Methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile
CID 164628175

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile (CID 135267115) is 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile is Cc1cc(-c2ccc3ncc4ccc(=O)n(-c5cccc(N)c5)c4c3n2)cnc1C#N.
What is the InChIKey of 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile?
The InChIKey is SUYNCYWBNSUAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O/c1-14-9-16(13-28-21(14)11-25)19-6-7-20-23(29-19)24-15(12-27-20)5-8-22(31)30(24)18-4-2-3-17(26)10-18/h2-10,12-13H,26H2,1H3.
What are the key properties of 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile?
5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile has a molecular weight of 404.43 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 135267115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).