8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide

C45H37BrCl2N8O6 — CID 159306994

IUPAC8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc2cncc(-c3cccc(Cl)c3)c2n1.COCCNC(=O)c1ccc2cncc(-c3ccccc3Cl)c2n1.O=C(O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/2C18H16ClN3O2.C9H5BrN2O2/c1-24-8-7-21-18(23)16-6-5-13-10-20-11-15(17(13)22-16)12-3-2-4-14(19)9-12;1-24-9-8-21-18(23)16-7-6-12-10-20-11-14(17(12)22-16)13-4-2-3-5-15(13)19;10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h2-6,9-11H,7-8H2,1H3,(H,21,23);2-7,10-11H,8-9H2,1H3,(H,21,23);1-4H,(H,13,14)
InChIKeyLCASAHAVTKPGML-UHFFFAOYSA-N
MW936.65 g/mol
LogP8.74
Rot. Bonds11

About 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide

8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 159306994) has the molecular formula C45H37BrCl2N8O6 and a molecular weight of 936.65 g/mol. Its IUPAC name is 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID159306994
Molecular FormulaC45H37BrCl2N8O6
Molecular Weight936.65 g/mol
Exact Mass934.14
IUPAC Name8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc2cncc(-c3cccc(Cl)c3)c2n1.COCCNC(=O)c1ccc2cncc(-c3ccccc3Cl)c2n1.O=C(O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/2C18H16ClN3O2.C9H5BrN2O2/c1-24-8-7-21-18(23)16-6-5-13-10-20-11-15(17(13)22-16)12-3-2-4-14(19)9-12;1-24-9-8-21-18(23)16-7-6-12-10-20-11-14(17(12)22-16)13-4-2-3-5-15(13)19;10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h2-6,9-11H,7-8H2,1H3,(H,21,23);2-7,10-11H,8-9H2,1H3,(H,21,23);1-4H,(H,13,14)
InChIKeyLCASAHAVTKPGML-UHFFFAOYSA-N
XLogP8.74
TPSA191.30 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.65
LogP ≤ 58.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-1,6-naphthyridine-2-carboxylic acid;8-bromo-N-[(1R)-1-phenylethyl]-1,6-naphthyridine-2-carboxamide;methane;(1R)-1-phenylethanamine
CID 157228091
N,N-diethyl-4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;methyl 4-[8-bromo-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;methyl 4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoate;4-[8-methyl-4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzoic acid;pentane
CID 158140992
8-bromo-1,6-naphthyridine-2-carboxylic acid;8-bromo-N-[(1R)-1-phenylethyl]-1,6-naphthyridine-2-carboxamide;(1R)-1-phenylethanamine
CID 158609175
6-Chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid
CID 158975493
7-benzyl-2-chloro-5,6-dihydro-1,7-naphthyridin-8-one;7-benzyl-5,6-dihydro-1,7-naphthyridin-8-one;6,7-dihydro-5H-1,7-naphthyridin-8-one;methyl 7-benzyl-8-oxo-5,6-dihydro-1,7-naphthyridine-2-carboxylate;methyl 8-oxo-6,7-dihydro-5H-1,7-naphthyridine-2-carboxylate;methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
CID 159274327
4-chloro-6-methyl-8-[(E)-2-phenylethenyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide;4-chloro-6-methyl-8-[(E)-2-phenylethenyl]quinoline-2-carboxylic acid;ethyl 8-bromo-6-methyl-4-oxo-1H-quinoline-2-carboxylate;methane;methyl 4-chloro-6-methyl-8-[(E)-2-phenylethenyl]quinoline-2-carboxylate;6-methyl-4-oxo-8-[(E)-2-phenylethenyl]-1H-quinoline-2-carboxylic acid;hydrofluoride
CID 159762085
4-bromo-N-methylpyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;deuterio(fluoro)methane;methyl 2-[2-chloro-4-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]acetate;methyl 2-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
CID 159981814
2-[4-(aminomethyl)phenyl]-N-benzyl-3-phenyl-1,6-naphthyridine-5-carboxamide;tert-butyl N-[[4-[5-(benzylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate;tert-butyl N-[[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate;tert-butyl N-[[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate;2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-3-phenyl-1,6-naphthyridine-5-carboxylic acid;phenylmethanamine;dihydrochloride
CID 160223682
4-bromo-N-propylpyridine-2-carboxamide;4-bromopyridine-2-carboxylic acid;4-phenyl-N-propylpyridine-2-carboxamide;N-[(4-phenyl-2-pyridinyl)methyl]propan-1-amine;propan-1-amine
CID 160965846
6-Chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3-methylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3-methylpyridine-2-carboxylic acid
CID 161095829
4-bromobenzoic acid;4-bromo-N,N-diethylbenzamide;4-(4-chloro-1,6-naphthyridin-2-yl)-N,N-diethylbenzamide;2,4-dichloro-1,6-naphthyridine;N,N-diethyl-4-[4-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;N-ethylethanamine;3-morpholin-4-ylpropan-1-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161429488
bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride
CID 161433495

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide (CID 159306994) is 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide is COCCNC(=O)c1ccc2cncc(-c3cccc(Cl)c3)c2n1.COCCNC(=O)c1ccc2cncc(-c3ccccc3Cl)c2n1.O=C(O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is LCASAHAVTKPGML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16ClN3O2.C9H5BrN2O2/c1-24-8-7-21-18(23)16-6-5-13-10-20-11-15(17(13)22-16)12-3-2-4-14(19)9-12;1-24-9-8-21-18(23)16-7-6-12-10-20-11-14(17(12)22-16)13-4-2-3-5-15(13)19;10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h2-6,9-11H,7-8H2,1H3,(H,21,23);2-7,10-11H,8-9H2,1H3,(H,21,23);1-4H,(H,13,14).
What are the key properties of 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide?
8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 936.65 g/mol, XLogP of 8.74, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,6-naphthyridine-2-carboxylic acid;8-(2-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide;8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159306994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).