3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine

C19H20ClFN2 — CID 19694035

IUPAC3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine
SMILESCc1nccc(NC2CCC(=Cc3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C19H20ClFN2/c1-13-19(20)18(10-11-22-13)23-17-8-4-15(5-9-17)12-14-2-6-16(21)7-3-14/h2-3,6-7,10-12,17H,4-5,8-9H2,1H3,(H,22,23)/b15-12-
InChIKeyGDXSDHNRJSXFLB-QINSGFPZSA-N
MW330.83 g/mol
LogP5.62
Rot. Bonds3

About 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine

3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine (PubChem CID 19694035) has the molecular formula C19H20ClFN2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine
PubChem CID19694035
Molecular FormulaC19H20ClFN2
Molecular Weight330.83 g/mol
Exact Mass330.13
IUPAC Name3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine
SMILESCc1nccc(NC2CCC(=Cc3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C19H20ClFN2/c1-13-19(20)18(10-11-22-13)23-17-8-4-15(5-9-17)12-14-2-6-16(21)7-3-14/h2-3,6-7,10-12,17H,4-5,8-9H2,1H3,(H,22,23)/b15-12-
InChIKeyGDXSDHNRJSXFLB-QINSGFPZSA-N
XLogP5.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.83
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine?
The IUPAC name of 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine (CID 19694035) is 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine is Cc1nccc(NC2CCC(=Cc3ccc(F)cc3)CC2)c1Cl.
What is the InChIKey of 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine?
The InChIKey is GDXSDHNRJSXFLB-QINSGFPZSA-N. The full InChI is InChI=1S/C19H20ClFN2/c1-13-19(20)18(10-11-22-13)23-17-8-4-15(5-9-17)12-14-2-6-16(21)7-3-14/h2-3,6-7,10-12,17H,4-5,8-9H2,1H3,(H,22,23)/b15-12-.
What are the key properties of 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine?
3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine has a molecular weight of 330.83 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(4-fluorophenyl)methylidene]cyclohexyl]-2-methylpyridin-4-amine is sourced from PubChem (CID 19694035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).