6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine

C16H20N4O2 — CID 144792621

IUPAC6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine
SMILES[H]/N=C(/c1ccc(-c2cc(N)ccc2C)nc1N)C(OC)OC
InChIInChI=1S/C16H20N4O2/c1-9-4-5-10(17)8-12(9)13-7-6-11(15(19)20-13)14(18)16(21-2)22-3/h4-8,16,18H,17H2,1-3H3,(H2,19,20)/b18-14-
InChIKeyDREAPINFSZEPBB-JXAWBTAJSA-N
MW300.36 g/mol
LogP2.21
Rot. Bonds5

About 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine

6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine (PubChem CID 144792621) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine
PubChem CID144792621
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine
SMILES[H]/N=C(/c1ccc(-c2cc(N)ccc2C)nc1N)C(OC)OC
InChIInChI=1S/C16H20N4O2/c1-9-4-5-10(17)8-12(9)13-7-6-11(15(19)20-13)14(18)16(21-2)22-3/h4-8,16,18H,17H2,1-3H3,(H2,19,20)/b18-14-
InChIKeyDREAPINFSZEPBB-JXAWBTAJSA-N
XLogP2.21
TPSA107.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine?
The IUPAC name of 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine (CID 144792621) is 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine.
What is the SMILES notation for 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine?
The canonical SMILES for 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine is [H]/N=C(/c1ccc(-c2cc(N)ccc2C)nc1N)C(OC)OC.
What is the InChIKey of 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine?
The InChIKey is DREAPINFSZEPBB-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9-4-5-10(17)8-12(9)13-7-6-11(15(19)20-13)14(18)16(21-2)22-3/h4-8,16,18H,17H2,1-3H3,(H2,19,20)/b18-14-.
What are the key properties of 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine?
6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine has a molecular weight of 300.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine is sourced from PubChem (CID 144792621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).