8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide

C24H25BrN4O2 — CID 167896791

IUPAC8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cccc(C)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C24H25BrN4O2/c1-14-6-5-7-15(2)21(14)24(31)29-19-9-4-3-8-18(19)28-23(30)20-11-10-16-12-26-13-17(25)22(16)27-20/h5-7,10-13,18-19H,3-4,8-9H2,1-2H3,(H,28,30)(H,29,31)/t18-,19-/m1/s1
InChIKeyYEIKDSZMZKWYLY-RTBURBONSA-N
MW481.39 g/mol
LogP4.48
Rot. Bonds4

About 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide

8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167896791) has the molecular formula C24H25BrN4O2 and a molecular weight of 481.39 g/mol. Its IUPAC name is 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
PubChem CID167896791
Molecular FormulaC24H25BrN4O2
Molecular Weight481.39 g/mol
Exact Mass480.12
IUPAC Name8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cccc(C)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C24H25BrN4O2/c1-14-6-5-7-15(2)21(14)24(31)29-19-9-4-3-8-18(19)28-23(30)20-11-10-16-12-26-13-17(25)22(16)27-20/h5-7,10-13,18-19H,3-4,8-9H2,1-2H3,(H,28,30)(H,29,31)/t18-,19-/m1/s1
InChIKeyYEIKDSZMZKWYLY-RTBURBONSA-N
XLogP4.48
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167823498
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565
8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167886309
8-bromo-N-[(2R,3R)-1-(1,3-dithiolane-2-carbonyl)-2-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167764026
8-bromo-N-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167926638
8-bromo-N-[4-methyl-1-(2-methylcyclopentene-1-carbonyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167770047
8-bromo-N-[1-(4-hydroxycyclohexanecarbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167937455
8-bromo-N-[1-(2-bromo-5-methylbenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167977351
8-bromo-N-[1-(5-bromopyridine-2-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167924503
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167988612

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide (CID 167896791) is 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide is Cc1cccc(C)c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is YEIKDSZMZKWYLY-RTBURBONSA-N. The full InChI is InChI=1S/C24H25BrN4O2/c1-14-6-5-7-15(2)21(14)24(31)29-19-9-4-3-8-18(19)28-23(30)20-11-10-16-12-26-13-17(25)22(16)27-20/h5-7,10-13,18-19H,3-4,8-9H2,1-2H3,(H,28,30)(H,29,31)/t18-,19-/m1/s1.
What are the key properties of 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 481.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167896791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).