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

C23H27BrN4O2 — CID 167823498

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

8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 167823498) has the molecular formula C23H27BrN4O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
• PubChem CID: 167823498
• Molecular Formula: C23H27BrN4O2
• Molecular Weight: 471.40 g/mol
• Exact Mass: 470.13
• IUPAC Name: 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
• SMILES: CC1=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc3cncc(Br)c3n2)CCCC1
• InChI: InChI=1S/C23H27BrN4O2/c1-14-6-2-3-7-16(14)22(29)27-18-8-4-5-9-19(18)28-23(30)20-11-10-15-12-25-13-17(24)21(15)26-20/h10-13,18-19H,2-9H2,1H3,(H,27,29)(H,28,30)/t18-,19-/m1/s1
• InChIKey: GOOJYRQLOVEGOC-RTBURBONSA-N
• XLogP: 4.44
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.40
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?

The IUPAC name of 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide (CID 167823498) is 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide.

What is the SMILES notation for 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?

The canonical SMILES for 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide is CC1=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc3cncc(Br)c3n2)CCCC1.

What is the InChIKey of 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?

The InChIKey is GOOJYRQLOVEGOC-RTBURBONSA-N. The full InChI is InChI=1S/C23H27BrN4O2/c1-14-6-2-3-7-16(14)22(29)27-18-8-4-5-9-19(18)28-23(30)20-11-10-15-12-25-13-17(24)21(15)26-20/h10-13,18-19H,2-9H2,1H3,(H,27,29)(H,28,30)/t18-,19-/m1/s1.

What are the key properties of 8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide?

8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 471.40 g/mol, XLogP of 4.44, 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-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167823498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).