5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine

C18H16ClFN4 — CID 66937018

IUPAC5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1
InChIInChI=1S/C18H16ClFN4/c1-21-18-9-14(15(19)11-23-18)16-6-3-7-17(24-16)22-10-12-4-2-5-13(20)8-12/h2-9,11H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZMTKCBYRPRAYOW-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.59
Rot. Bonds5

About 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine

5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine (PubChem CID 66937018) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine
PubChem CID66937018
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC Name5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1
InChIInChI=1S/C18H16ClFN4/c1-21-18-9-14(15(19)11-23-18)16-6-3-7-17(24-16)22-10-12-4-2-5-13(20)8-12/h2-9,11H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyZMTKCBYRPRAYOW-UHFFFAOYSA-N
XLogP4.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine (CID 66937018) is 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine is CNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine?
The InChIKey is ZMTKCBYRPRAYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c1-21-18-9-14(15(19)11-23-18)16-6-3-7-17(24-16)22-10-12-4-2-5-13(20)8-12/h2-9,11H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine?
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine has a molecular weight of 342.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 66937018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).