N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine

C20H18Cl2FN3 — CID 68578856

IUPACN-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine
SMILESCCCCNc1nc(-c2ccccn2)cc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C20H18Cl2FN3/c1-2-3-10-25-20-19(18-13(21)7-6-8-15(18)23)14(22)12-17(26-20)16-9-4-5-11-24-16/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)
InChIKeyDBARAKLECVIYAH-UHFFFAOYSA-N
MW390.29 g/mol
LogP6.47
Rot. Bonds6

About N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine

N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine (PubChem CID 68578856) has the molecular formula C20H18Cl2FN3 and a molecular weight of 390.29 g/mol. Its IUPAC name is N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine
PubChem CID68578856
Molecular FormulaC20H18Cl2FN3
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC NameN-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine
SMILESCCCCNc1nc(-c2ccccn2)cc(Cl)c1-c1c(F)cccc1Cl
InChIInChI=1S/C20H18Cl2FN3/c1-2-3-10-25-20-19(18-13(21)7-6-8-15(18)23)14(22)12-17(26-20)16-9-4-5-11-24-16/h4-9,11-12H,2-3,10H2,1H3,(H,25,26)
InChIKeyDBARAKLECVIYAH-UHFFFAOYSA-N
XLogP6.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-4-amine
CID 87503962
2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
CID 59007738
2-(2,6-dibutyl-4-chlorophenyl)pyridine
CID 160991399
N-butylpyridin-2-amine
CID 14322668
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
propane;2-pyridin-2-ylpyridine
CID 158168510
6-N-(6,7-dichloro-3-pyridin-2-ylquinoxalin-2-yl)-1-N-methylhexane-1,3,6-triamine
CID 67640185
N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 18549055
5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591370
2,6-dipyridin-2-yl-4-[4-[2,4,5-tris[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-dihexoxyphenyl]phenyl]pyridine
CID 102454997
6-chloro-3-fluoro-N-pentylpyridin-2-amine
CID 90135424

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine (CID 68578856) is N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine is CCCCNc1nc(-c2ccccn2)cc(Cl)c1-c1c(F)cccc1Cl.
What is the InChIKey of N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine?
The InChIKey is DBARAKLECVIYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3/c1-2-3-10-25-20-19(18-13(21)7-6-8-15(18)23)14(22)12-17(26-20)16-9-4-5-11-24-16/h4-9,11-12H,2-3,10H2,1H3,(H,25,26).
What are the key properties of N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine?
N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine has a molecular weight of 390.29 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-3-(2-chloro-6-fluorophenyl)-6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 68578856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).