6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide

C17H22BrN3O2 — CID 166831382

IUPAC6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide
SMILESCCN1c2ncc(Br)cc2C=C(C(=O)NC2CCCCC2)C1O
InChIInChI=1S/C17H22BrN3O2/c1-2-21-15-11(8-12(18)10-19-15)9-14(17(21)23)16(22)20-13-6-4-3-5-7-13/h8-10,13,17,23H,2-7H2,1H3,(H,20,22)
InChIKeyOFEDDZDGVBDDOG-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.83
Rot. Bonds3

About 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide

6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide (PubChem CID 166831382) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide
PubChem CID166831382
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide
SMILESCCN1c2ncc(Br)cc2C=C(C(=O)NC2CCCCC2)C1O
InChIInChI=1S/C17H22BrN3O2/c1-2-21-15-11(8-12(18)10-19-15)9-14(17(21)23)16(22)20-13-6-4-3-5-7-13/h8-10,13,17,23H,2-7H2,1H3,(H,20,22)
InChIKeyOFEDDZDGVBDDOG-UHFFFAOYSA-N
XLogP2.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide (CID 166831382) is 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide is CCN1c2ncc(Br)cc2C=C(C(=O)NC2CCCCC2)C1O.
What is the InChIKey of 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide?
The InChIKey is OFEDDZDGVBDDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-2-21-15-11(8-12(18)10-19-15)9-14(17(21)23)16(22)20-13-6-4-3-5-7-13/h8-10,13,17,23H,2-7H2,1H3,(H,20,22).
What are the key properties of 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide?
6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclohexyl-1-ethyl-2-hydroxy-2H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).