6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile

C20H21N5O2 — CID 18548946

IUPAC6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cnc(OCCN(C)C)cc23)cc1O
InChIInChI=1S/C20H21N5O2/c1-13-4-5-15(8-18(13)26)24-20-14(10-21)11-22-17-12-23-19(9-16(17)20)27-7-6-25(2)3/h4-5,8-9,11-12,26H,6-7H2,1-3H3,(H,22,24)
InChIKeyLLUKNUZKJWLAOK-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.20
Rot. Bonds6

About 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile

6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile (PubChem CID 18548946) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile
PubChem CID18548946
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cnc(OCCN(C)C)cc23)cc1O
InChIInChI=1S/C20H21N5O2/c1-13-4-5-15(8-18(13)26)24-20-14(10-21)11-22-17-12-23-19(9-16(17)20)27-7-6-25(2)3/h4-5,8-9,11-12,26H,6-7H2,1-3H3,(H,22,24)
InChIKeyLLUKNUZKJWLAOK-UHFFFAOYSA-N
XLogP3.20
TPSA94.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69180814
N-[3-cyano-7-[2-(dimethylamino)ethoxy]-4-[3-methyl-4-(3-methylimidazo[1,2-a]pyridin-7-yl)oxyanilino]quinolin-6-yl]acetamide
CID 170117797
8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 135481830
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
6-methoxy-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768369
4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
CID 69315031
6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 70661673
4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
CID 22646538
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile (CID 18548946) is 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile is Cc1ccc(Nc2c(C#N)cnc3cnc(OCCN(C)C)cc23)cc1O.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile?
The InChIKey is LLUKNUZKJWLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-4-5-15(8-18(13)26)24-20-14(10-21)11-22-17-12-23-19(9-16(17)20)27-7-6-25(2)3/h4-5,8-9,11-12,26H,6-7H2,1-3H3,(H,22,24).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile?
6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile has a molecular weight of 363.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 18548946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).