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

C20H18Cl2FN3 — CID 59007760

IUPAC2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine
SMILESCc1cccc(-c2cc(NC(C)C)c(-c3c(F)cccc3Cl)c(Cl)n2)n1
InChIInChI=1S/C20H18Cl2FN3/c1-11(2)24-17-10-16(15-9-4-6-12(3)25-15)26-20(22)19(17)18-13(21)7-5-8-14(18)23/h4-11H,1-3H3,(H,24,26)
InChIKeyDVSQKLNNFIXJSJ-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.39
Rot. Bonds4

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

2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine (PubChem CID 59007760) has the molecular formula C20H18Cl2FN3 and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine
PubChem CID59007760
Molecular FormulaC20H18Cl2FN3
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine
SMILESCc1cccc(-c2cc(NC(C)C)c(-c3c(F)cccc3Cl)c(Cl)n2)n1
InChIInChI=1S/C20H18Cl2FN3/c1-11(2)24-17-10-16(15-9-4-6-12(3)25-15)26-20(22)19(17)18-13(21)7-5-8-14(18)23/h4-11H,1-3H3,(H,24,26)
InChIKeyDVSQKLNNFIXJSJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine (CID 59007760) is 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine is Cc1cccc(-c2cc(NC(C)C)c(-c3c(F)cccc3Cl)c(Cl)n2)n1.
What is the InChIKey of 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine?
The InChIKey is DVSQKLNNFIXJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3/c1-11(2)24-17-10-16(15-9-4-6-12(3)25-15)26-20(22)19(17)18-13(21)7-5-8-14(18)23/h4-11H,1-3H3,(H,24,26).
What are the key properties of 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine?
2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-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 2-chloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 59007760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).