1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine

C21H23BrN4O2 — CID 133483896

IUPAC1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3ccnc4cc(Br)cnc34)CC2)cc(OC)c1
InChIInChI=1S/C21H23BrN4O2/c1-27-17-10-16(11-18(12-17)28-2)25-15-4-7-26(8-5-15)20-3-6-23-19-9-14(22)13-24-21(19)20/h3,6,9-13,15,25H,4-5,7-8H2,1-2H3
InChIKeyGSXHLOFCCGKNIU-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.49
Rot. Bonds5

About 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine

1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine (PubChem CID 133483896) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine
PubChem CID133483896
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(c3ccnc4cc(Br)cnc34)CC2)cc(OC)c1
InChIInChI=1S/C21H23BrN4O2/c1-27-17-10-16(11-18(12-17)28-2)25-15-4-7-26(8-5-15)20-3-6-23-19-9-14(22)13-24-21(19)20/h3,6,9-13,15,25H,4-5,7-8H2,1-2H3
InChIKeyGSXHLOFCCGKNIU-UHFFFAOYSA-N
XLogP4.49
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 122144100
1-(7-bromo-1,5-naphthyridin-4-yl)-3-methylpiperidin-4-ol
CID 114680866
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
3-bromo-8-(3,4-dimethylpiperazin-1-yl)-1,5-naphthyridine
CID 113394506
3-[4-(3,5-dimethoxyanilino)piperidin-1-yl]thiophene-2-carbonitrile
CID 167963148
4-(7-bromo-1,5-naphthyridin-4-yl)-1,4-thiazepane
CID 113394491
1-(7-bromo-1,5-naphthyridin-4-yl)-N-methylpiperidine-3-carboxamide
CID 104530089
3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
CID 133482284
3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
CID 133482708
3-bromo-N-cyclohexyl-5-methoxyaniline
CID 82857692
3-bromo-8-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-1,5-naphthyridine
CID 139007267
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 133481788

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine (CID 133483896) is 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine is COc1cc(NC2CCN(c3ccnc4cc(Br)cnc34)CC2)cc(OC)c1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
The InChIKey is GSXHLOFCCGKNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-27-17-10-16(11-18(12-17)28-2)25-15-4-7-26(8-5-15)20-3-6-23-19-9-14(22)13-24-21(19)20/h3,6,9-13,15,25H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine has a molecular weight of 443.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-4-yl)-N-(3,5-dimethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 133483896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).