4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile

C22H23BrN6O — CID 69315031

IUPAC4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)cc1Br
InChIInChI=1S/C22H23BrN6O/c1-15-2-3-17(10-19(15)23)28-22-16(12-24)13-26-20-14-27-21(11-18(20)22)25-4-5-29-6-8-30-9-7-29/h2-3,10-11,13-14H,4-9H2,1H3,(H,25,27)(H,26,28)
InChIKeyVJLGIFWZPCKINY-UHFFFAOYSA-N
MW467.37 g/mol
LogP4.06
Rot. Bonds6

About 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile

4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile (PubChem CID 69315031) has the molecular formula C22H23BrN6O and a molecular weight of 467.37 g/mol. Its IUPAC name is 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
PubChem CID69315031
Molecular FormulaC22H23BrN6O
Molecular Weight467.37 g/mol
Exact Mass466.11
IUPAC Name4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)cc1Br
InChIInChI=1S/C22H23BrN6O/c1-15-2-3-17(10-19(15)23)28-22-16(12-24)13-26-20-14-27-21(11-18(20)22)25-4-5-29-6-8-30-9-7-29/h2-3,10-11,13-14H,4-9H2,1H3,(H,25,27)(H,26,28)
InChIKeyVJLGIFWZPCKINY-UHFFFAOYSA-N
XLogP4.06
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
CID 69181974
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69180814
4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
CID 69257421
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
CID 69259832
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
5-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 23551658
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile (CID 69315031) is 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile is Cc1ccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The InChIKey is VJLGIFWZPCKINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O/c1-15-2-3-17(10-19(15)23)28-22-16(12-24)13-26-20-14-27-21(11-18(20)22)25-4-5-29-6-8-30-9-7-29/h2-3,10-11,13-14H,4-9H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile has a molecular weight of 467.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69315031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).