2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol

C15H18BrN3O — CID 102635969

IUPAC2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc2cc(Br)cnc12)C1CCCCC1O
InChIInChI=1S/C15H18BrN3O/c1-19(12-4-2-3-5-14(12)20)13-6-7-17-11-8-10(16)9-18-15(11)13/h6-9,12,14,20H,2-5H2,1H3
InChIKeyFRTMVCWWWHSTNN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.13
Rot. Bonds2

About 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol

2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102635969) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102635969
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc2cc(Br)cnc12)C1CCCCC1O
InChIInChI=1S/C15H18BrN3O/c1-19(12-4-2-3-5-14(12)20)13-6-7-17-11-8-10(16)9-18-15(11)13/h6-9,12,14,20H,2-5H2,1H3
InChIKeyFRTMVCWWWHSTNN-UHFFFAOYSA-N
XLogP3.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952221
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
CID 102631472
2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102640081
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol (CID 102635969) is 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1ccnc2cc(Br)cnc12)C1CCCCC1O.
What is the InChIKey of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is FRTMVCWWWHSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-19(12-4-2-3-5-14(12)20)13-6-7-17-11-8-10(16)9-18-15(11)13/h6-9,12,14,20H,2-5H2,1H3.
What are the key properties of 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 336.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102635969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).