6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine

C24H26N4O3 — CID 68873690

IUPAC6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine
SMILESCCOc1cccc(Nc2cc(N)nc3c2CN(c2ccc(OC)c(OC)c2)C=C3)c1
InChIInChI=1S/C24H26N4O3/c1-4-31-18-7-5-6-16(12-18)26-21-14-24(25)27-20-10-11-28(15-19(20)21)17-8-9-22(29-2)23(13-17)30-3/h5-14H,4,15H2,1-3H3,(H3,25,26,27)
InChIKeyFNMTUMMYZKNEGD-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.81
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine

6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine (PubChem CID 68873690) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine
PubChem CID68873690
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine
SMILESCCOc1cccc(Nc2cc(N)nc3c2CN(c2ccc(OC)c(OC)c2)C=C3)c1
InChIInChI=1S/C24H26N4O3/c1-4-31-18-7-5-6-16(12-18)26-21-14-24(25)27-20-10-11-28(15-19(20)21)17-8-9-22(29-2)23(13-17)30-3/h5-14H,4,15H2,1-3H3,(H3,25,26,27)
InChIKeyFNMTUMMYZKNEGD-UHFFFAOYSA-N
XLogP4.81
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 68912324
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597242
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
1-N-(3-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66066299
3-(3,4-dimethoxyphenyl)-4-(3-ethoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110597088
2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
2-chloro-6-(3-ethoxyanilino)benzenecarbothioamide
CID 62497351

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine (CID 68873690) is 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine is CCOc1cccc(Nc2cc(N)nc3c2CN(c2ccc(OC)c(OC)c2)C=C3)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine?
The InChIKey is FNMTUMMYZKNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-4-31-18-7-5-6-16(12-18)26-21-14-24(25)27-20-10-11-28(15-19(20)21)17-8-9-22(29-2)23(13-17)30-3/h5-14H,4,15H2,1-3H3,(H3,25,26,27).
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine?
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine has a molecular weight of 418.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine is sourced from PubChem (CID 68873690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).