2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine

C72H68Br2ClN17O11 — CID 160559870

IUPAC2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1.CCOC(=O)c1cnc2nc(Cl)ccc2c1.CCOC(=O)c1cnc2nc(N)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1ccc2cc(Br)ccc2n1.Nc1cccc(N)n1.O=CC(Br)C=O
InChIInChI=1S/C12H12N2O2.C11H9ClN2O2.C11H11N3O2.C11H11N3O.C10H8N2O2.C9H7BrN2.C5H7N3.C3H3BrO2/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;2*1-2-16-11(15)8-5-7-3-4-9(12)14-10(7)13-6-8;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;10-7-2-3-8-6(5-7)1-4-9(11)12-8;6-4-2-1-3-5(7)8-4;4-3(1-5)2-6/h4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,2H2,1H3,(H2,12,13,14);3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-5H,(H2,11,12);1-3H,(H4,6,7,8);1-3H
InChIKeyQZDXIGIIMPLECQ-UHFFFAOYSA-N
MW1542.70 g/mol
LogP11.87
Rot. Bonds10

About 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine

2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine (PubChem CID 160559870) has the molecular formula C72H68Br2ClN17O11 and a molecular weight of 1542.70 g/mol. Its IUPAC name is 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine.

Molecular Properties

Compound Name2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine
PubChem CID160559870
Molecular FormulaC72H68Br2ClN17O11
Molecular Weight1542.70 g/mol
Exact Mass1539.33
IUPAC Name2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1.CCOC(=O)c1cnc2nc(Cl)ccc2c1.CCOC(=O)c1cnc2nc(N)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1ccc2cc(Br)ccc2n1.Nc1cccc(N)n1.O=CC(Br)C=O
InChIInChI=1S/C12H12N2O2.C11H9ClN2O2.C11H11N3O2.C11H11N3O.C10H8N2O2.C9H7BrN2.C5H7N3.C3H3BrO2/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;2*1-2-16-11(15)8-5-7-3-4-9(12)14-10(7)13-6-8;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;10-7-2-3-8-6(5-7)1-4-9(11)12-8;6-4-2-1-3-5(7)8-4;4-3(1-5)2-6/h4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,2H2,1H3,(H2,12,13,14);3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-5H,(H2,11,12);1-3H,(H4,6,7,8);1-3H
InChIKeyQZDXIGIIMPLECQ-UHFFFAOYSA-N
XLogP11.87
TPSA438.20 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001542.70
LogP ≤ 511.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-bromopyridine-3-carbaldehyde;5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid;tert-butyl 5-[6-bromo-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;tert-butyl 5-[2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoate;carbon dioxide;5-[6-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]-2-(4-fluorophenyl)-1,8-naphthyridin-3-yl]pentanoic acid
CID 158935269
2-amino-6-chloropyridine-3-carbaldehyde;2-amino-6-chloropyridine-3-carboxylic acid;(2-amino-6-chloro-3-pyridinyl)methanol;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;ethyl prop-2-ynoate;7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 159289576
3-Aminobenzonitrile;2-bromopyridine;methyl 4-chloroquinazoline-8-carboxylate;methyl 4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxylate;3-(pyridin-2-ylmethyl)benzonitrile;[3-(pyridin-2-ylmethyl)phenyl]methanamine;4-[[3-(pyridin-2-ylmethyl)phenyl]methylamino]quinazoline-8-carboxamide;hydrochloride
CID 160681131
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
5-Bromo-2-[(3-ethoxycarbonyl-7-methyl-1,8-naphthyridin-4-yl)amino]benzoic acid
CID 19258415

Frequently Asked Questions

What is the IUPAC name of 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine?
The IUPAC name of 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine (CID 160559870) is 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine.
What is the SMILES notation for 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine?
The canonical SMILES for 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine is CCOC(=O)c1cnc2nc(C)ccc2c1.CCOC(=O)c1cnc2nc(Cl)ccc2c1.CCOC(=O)c1cnc2nc(N)ccc2c1.CNC(=O)c1cnc2nc(C)ccc2c1.Cc1ccc2cc(C(=O)O)cnc2n1.Nc1ccc2cc(Br)ccc2n1.Nc1cccc(N)n1.O=CC(Br)C=O.
What is the InChIKey of 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine?
The InChIKey is QZDXIGIIMPLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C11H9ClN2O2.C11H11N3O2.C11H11N3O.C10H8N2O2.C9H7BrN2.C5H7N3.C3H3BrO2/c1-3-16-12(15)10-6-9-5-4-8(2)14-11(9)13-7-10;2*1-2-16-11(15)8-5-7-3-4-9(12)14-10(7)13-6-8;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;10-7-2-3-8-6(5-7)1-4-9(11)12-8;6-4-2-1-3-5(7)8-4;4-3(1-5)2-6/h4-7H,3H2,1-2H3;3-6H,2H2,1H3;3-6H,2H2,1H3,(H2,12,13,14);3-6H,1-2H3,(H,12,15);2-5H,1H3,(H,13,14);1-5H,(H2,11,12);1-3H,(H4,6,7,8);1-3H.
What are the key properties of 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine?
2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine has a molecular weight of 1542.70 g/mol, XLogP of 11.87, 10 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropanedial;6-bromoquinolin-2-amine;N,7-dimethyl-1,8-naphthyridine-3-carboxamide;ethyl 7-amino-1,8-naphthyridine-3-carboxylate;ethyl 7-chloro-1,8-naphthyridine-3-carboxylate;ethyl 7-methyl-1,8-naphthyridine-3-carboxylate;7-methyl-1,8-naphthyridine-3-carboxylic acid;pyridine-2,6-diamine is sourced from PubChem (CID 160559870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).