4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine

C20H18Cl2FN3 — CID 59007733

IUPAC4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine
SMILESCc1cccc(-c2cc(Cl)c(-c3c(F)cccc3Cl)c(NC(C)C)n2)n1
InChIInChI=1S/C20H18Cl2FN3/c1-11(2)24-20-19(18-13(21)7-5-8-15(18)23)14(22)10-17(26-20)16-9-4-6-12(3)25-16/h4-11H,1-3H3,(H,24,26)
InChIKeyROLUSIYXYQQUDJ-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.39
Rot. Bonds4

About 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine

4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 59007733) has the molecular formula C20H18Cl2FN3 and a molecular weight of 390.29 g/mol. Its IUPAC name is 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine
PubChem CID59007733
Molecular FormulaC20H18Cl2FN3
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine
SMILESCc1cccc(-c2cc(Cl)c(-c3c(F)cccc3Cl)c(NC(C)C)n2)n1
InChIInChI=1S/C20H18Cl2FN3/c1-11(2)24-20-19(18-13(21)7-5-8-15(18)23)14(22)10-17(26-20)16-9-4-6-12(3)25-16/h4-11H,1-3H3,(H,24,26)
InChIKeyROLUSIYXYQQUDJ-UHFFFAOYSA-N
XLogP6.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine (CID 59007733) is 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine is Cc1cccc(-c2cc(Cl)c(-c3c(F)cccc3Cl)c(NC(C)C)n2)n1.
What is the InChIKey of 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is ROLUSIYXYQQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3/c1-11(2)24-20-19(18-13(21)7-5-8-15(18)23)14(22)10-17(26-20)16-9-4-6-12(3)25-16/h4-11H,1-3H3,(H,24,26).
What are the key properties of 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine?
4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 390.29 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 59007733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).