2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one

C57H55Br2N13O8 — CID 161195248

IUPAC2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one
SMILESCC(C)=O.CCOC(=O)c1cnc2nc(C)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(Br)cnc2n1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1ncc(Br)cc1C=O.Nc1ncccc1C=O
InChIInChI=1S/C12H12N2O2.C11H11N3O.C10H8N2O2.C9H7BrN2.C6H5BrN2O.C6H6N2O.C3H6O/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;1-7-3-4-8-5-9(11(15)12-2)6-13-10(8)14-7;1-6-2-3-7-4-8(10(13)14)5-11-9(7)12-6;1-6-2-3-7-4-8(10)5-11-9(7)12-6;7-5-1-4(3-10)6(8)9-2-5;7-6-5(4-9)2-1-3-8-6;1-3(2)4/h4-7H,3H2,1-2H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);2-5H,1H3;1-3H,(H2,8,9);1-4H,(H2,7,8);1-2H3
InChIKeyUUGGEPZAABRHMA-UHFFFAOYSA-N
MW1209.96 g/mol
LogP10.06
Rot. Bonds6

About 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one

2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one (PubChem CID 161195248) has the molecular formula C57H55Br2N13O8 and a molecular weight of 1209.96 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one
PubChem CID161195248
Molecular FormulaC57H55Br2N13O8
Molecular Weight1209.96 g/mol
Exact Mass1207.27
IUPAC Name2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one
SMILESCC(C)=O.CCOC(=O)c1cnc2nc(C)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(Br)cnc2n1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1ncc(Br)cc1C=O.Nc1ncccc1C=O
InChIInChI=1S/C12H12N2O2.C11H11N3O.C10H8N2O2.C9H7BrN2.C6H5BrN2O.C6H6N2O.C3H6O/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;1-7-3-4-8-5-9(11(15)12-2)6-13-10(8)14-7;1-6-2-3-7-4-8(10(13)14)5-11-9(7)12-6;1-6-2-3-7-4-8(10)5-11-9(7)12-6;7-5-1-4(3-10)6(8)9-2-5;7-6-5(4-9)2-1-3-8-6;1-3(2)4/h4-7H,3H2,1-2H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);2-5H,1H3;1-3H,(H2,8,9);1-4H,(H2,7,8);1-2H3
InChIKeyUUGGEPZAABRHMA-UHFFFAOYSA-N
XLogP10.06
TPSA324.85 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.96
LogP ≤ 510.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one with MolForge

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Related Compounds

Ethyl 4-[(3-bromophenyl)amino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258354
6-Bromo-3-butyl-5-[hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;3-[6-bromo-1-methyl-2,4-dioxo-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-3-yl]propyl formate;formic acid;ZINC
CID 159332577
2-Methyl-1,8-naphthyridine-3-carboxylic acid;(3-phenylphenyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66632802
2-amino-N-propylacetamide;2-aminopyridine-3-carbaldehyde;bis(2-butyl-1,8-naphthyridine);7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;hexan-2-one;methane;N-[2-oxo-2-(propylamino)ethyl]-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanamide;propan-1-amine;N-propylpropanamide;4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoic acid;trihydrochloride
CID 157068497
lithium;magnesium;1-bromo-4-isocyanobenzene;hydride;4-(4-isocyanophenyl)-3,6-dihydro-2H-pyran;4-(4-isocyanophenyl)oxane;4-(4-isocyanophenyl)oxan-4-ol;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;oxan-4-one;[4-(oxan-4-yl)phenyl]methanamine;propane;dichloride
CID 157114099
acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 157153285
2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;ethyl (3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate;methyl 5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoate;6-oxoheptanoic acid;(3S)-3-pyridin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid;dihydrochloride
CID 157437435
tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-(5-formyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;6-[5-(1-hydroxy-2-methylpropyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;2-methyl-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-pyridinyl]propan-1-ol
CID 157610416
lithium;magnesium;1-[4-(aminomethyl)phenyl]cyclohexan-1-ol;1-bromo-4-isocyanobenzene;cyclohexanone;1-(4-ethylphenyl)cyclohexan-1-ol;hydride;N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;1-(4-isocyanophenyl)cyclohexan-1-ol;2-methyl-1,8-naphthyridine-3-carboxylic acid;propane;dichloride
CID 157673687
6-[(7S)-7-amino-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-20-yl]-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;(7S)-7-amino-20-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-8-one;tert-butyl N-[(7S)-20-(5-formyl-2-pyridinyl)-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-7-yl]carbamate;1,4-dimethylpiperidine;6-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-2,16,18,21-tetrazabicyclo[15.3.1]henicosa-1(21),17,19-trien-20-yl]pyridine-3-carboxylic acid;piperidine
CID 157766467
4-Chloro-3-methyl-2-pentyl-1,8-naphthyridine;2,4-dichloro-3-methyl-1,8-naphthyridine;ethane;methane;methyl 2-aminopyridine-3-carboxylate;6-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine;3-(2-methylpyrimidin-5-yl)-9-(3-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-5-oxononanoic acid
CID 157883878
sodium;2-aminopyridine-3-carbaldehyde;ethanol;ethyl 4-bromo-1H-pyrrole-2-carboxylate;ethyl 4-[(E)-4-hydroxypent-1-enyl]-1H-pyrrole-2-carboxylate;ethyl 4-[3-(1,8-naphthyridin-2-yl)propyl]-1H-pyrrole-2-carboxylate;ethyl 4-[(E)-4-oxopent-1-enyl]-1H-pyrrole-2-carboxylate;ethyl 4-(4-oxopentyl)-1H-pyrrole-2-carboxylate;4-[3-(1,8-naphthyridin-2-yl)propyl]-1H-pyrrole-2-carboxylic acid;pent-4-en-2-ol;hydroxide
CID 158044391

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one?
The IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one (CID 161195248) is 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one?
The canonical SMILES for 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one is CC(C)=O.CCOC(=O)c1cnc2nc(C)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(Br)cnc2n1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1ncc(Br)cc1C=O.Nc1ncccc1C=O.
What is the InChIKey of 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one?
The InChIKey is UUGGEPZAABRHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C11H11N3O.C10H8N2O2.C9H7BrN2.C6H5BrN2O.C6H6N2O.C3H6O/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;1-7-3-4-8-5-9(11(15)12-2)6-13-10(8)14-7;1-6-2-3-7-4-8(10(13)14)5-11-9(7)12-6;1-6-2-3-7-4-8(10)5-11-9(7)12-6;7-5-1-4(3-10)6(8)9-2-5;7-6-5(4-9)2-1-3-8-6;1-3(2)4/h4-7H,3H2,1-2H3;3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);2-5H,1H3;1-3H,(H2,8,9);1-4H,(H2,7,8);1-2H3.
What are the key properties of 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one?
2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one has a molecular weight of 1209.96 g/mol, XLogP of 10.06, 6 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-carbaldehyde;2-aminopyridine-3-carbaldehyde;6-bromo-2-methyl-1,8-naphthyridine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;propan-2-one is sourced from PubChem (CID 161195248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).