6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine

C20H26ClN3O2 — CID 166774545

IUPAC6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine
SMILES[H]/N=C(\CC)c1ccc(-c2c(Cl)c(OC)cc(OC)c2CCCC)nc1N
InChIInChI=1S/C20H26ClN3O2/c1-5-7-8-13-16(25-3)11-17(26-4)19(21)18(13)15-10-9-12(14(22)6-2)20(23)24-15/h9-11,22H,5-8H2,1-4H3,(H2,23,24)/b22-14+
InChIKeyXRXPUTFQLJWGBG-HYARGMPZSA-N
MW375.90 g/mol
LogP5.12
Rot. Bonds8

About 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine

6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine (PubChem CID 166774545) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine.

Molecular Properties

Compound Name6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine
PubChem CID166774545
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine
SMILES[H]/N=C(\CC)c1ccc(-c2c(Cl)c(OC)cc(OC)c2CCCC)nc1N
InChIInChI=1S/C20H26ClN3O2/c1-5-7-8-13-16(25-3)11-17(26-4)19(21)18(13)15-10-9-12(14(22)6-2)20(23)24-15/h9-11,22H,5-8H2,1-4H3,(H2,23,24)/b22-14+
InChIKeyXRXPUTFQLJWGBG-HYARGMPZSA-N
XLogP5.12
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine?
The IUPAC name of 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine (CID 166774545) is 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine.
What is the SMILES notation for 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine?
The canonical SMILES for 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine is [H]/N=C(\CC)c1ccc(-c2c(Cl)c(OC)cc(OC)c2CCCC)nc1N.
What is the InChIKey of 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine?
The InChIKey is XRXPUTFQLJWGBG-HYARGMPZSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-5-7-8-13-16(25-3)11-17(26-4)19(21)18(13)15-10-9-12(14(22)6-2)20(23)24-15/h9-11,22H,5-8H2,1-4H3,(H2,23,24)/b22-14+.
What are the key properties of 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine?
6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine has a molecular weight of 375.90 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine is sourced from PubChem (CID 166774545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).