6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine

C20H29N3O — CID 22291304

IUPAC6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
SMILESCCC(CC)Oc1nc(C)cc(Nc2c(C)cc(C)cc2C)c1N
InChIInChI=1S/C20H29N3O/c1-7-16(8-2)24-20-18(21)17(11-15(6)22-20)23-19-13(4)9-12(3)10-14(19)5/h9-11,16H,7-8,21H2,1-6H3,(H,22,23)
InChIKeySAYUHJUHXQTIHA-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.21
Rot. Bonds6

About 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine

6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine (PubChem CID 22291304) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
PubChem CID22291304
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
SMILESCCC(CC)Oc1nc(C)cc(Nc2c(C)cc(C)cc2C)c1N
InChIInChI=1S/C20H29N3O/c1-7-16(8-2)24-20-18(21)17(11-15(6)22-20)23-19-13(4)9-12(3)10-14(19)5/h9-11,16H,7-8,21H2,1-6H3,(H,22,23)
InChIKeySAYUHJUHXQTIHA-UHFFFAOYSA-N
XLogP5.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine?
The IUPAC name of 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine (CID 22291304) is 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine?
The canonical SMILES for 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine is CCC(CC)Oc1nc(C)cc(Nc2c(C)cc(C)cc2C)c1N.
What is the InChIKey of 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine?
The InChIKey is SAYUHJUHXQTIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-7-16(8-2)24-20-18(21)17(11-15(6)22-20)23-19-13(4)9-12(3)10-14(19)5/h9-11,16H,7-8,21H2,1-6H3,(H,22,23).
What are the key properties of 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine?
6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine has a molecular weight of 327.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 22291304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).