3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine

C23H29N3 — CID 18386611

IUPAC3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine
SMILESCCC(CC)c1nccc2c(Nc3c(C)cc(C)cc3C)nc(C)cc12
InChIInChI=1S/C23H29N3/c1-7-18(8-2)22-20-13-17(6)25-23(19(20)9-10-24-22)26-21-15(4)11-14(3)12-16(21)5/h9-13,18H,7-8H2,1-6H3,(H,25,26)
InChIKeyWTDNVVTWFHQROG-UHFFFAOYSA-N
MW347.51 g/mol
LogP6.51
Rot. Bonds5

About 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine

3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine (PubChem CID 18386611) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine
PubChem CID18386611
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine
SMILESCCC(CC)c1nccc2c(Nc3c(C)cc(C)cc3C)nc(C)cc12
InChIInChI=1S/C23H29N3/c1-7-18(8-2)22-20-13-17(6)25-23(19(20)9-10-24-22)26-21-15(4)11-14(3)12-16(21)5/h9-13,18H,7-8H2,1-6H3,(H,25,26)
InChIKeyWTDNVVTWFHQROG-UHFFFAOYSA-N
XLogP6.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-pentan-3-yl-N-(2,4,6-trimethylphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 22253394
6-methyl-4-pentan-3-yl-8-(2,4,6-trimethylphenoxy)-1,7-naphthyridine
CID 18386670
5-methyl-7-N-(2,4,6-trimethylphenyl)-[1,2]thiazolo[5,4-c]pyridine-3,7-diamine
CID 139729469
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 18386617
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
CID 107543299
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
N-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridin-2-amine
CID 91455813
3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
CID 142655771
3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
CID 62684183
1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 22004330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine?
The IUPAC name of 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine (CID 18386611) is 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine.
What is the SMILES notation for 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine?
The canonical SMILES for 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine is CCC(CC)c1nccc2c(Nc3c(C)cc(C)cc3C)nc(C)cc12.
What is the InChIKey of 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine?
The InChIKey is WTDNVVTWFHQROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-7-18(8-2)22-20-13-17(6)25-23(19(20)9-10-24-22)26-21-15(4)11-14(3)12-16(21)5/h9-13,18H,7-8H2,1-6H3,(H,25,26).
What are the key properties of 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine?
3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine has a molecular weight of 347.51 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentan-3-yl-N-(2,4,6-trimethylphenyl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 18386611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).