6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C16H19FN4 — CID 123637938

IUPAC6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(N(C)c2cc(C)cc(N3CC(F)C3)n2)c1
InChIInChI=1S/C16H19FN4/c1-11-4-5-18-14(6-11)20(3)15-7-12(2)8-16(19-15)21-9-13(17)10-21/h4-8,13H,9-10H2,1-3H3
InChIKeyLSIOKMMCIAIJQT-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.02
Rot. Bonds3

About 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 123637938) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID123637938
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(N(C)c2cc(C)cc(N3CC(F)C3)n2)c1
InChIInChI=1S/C16H19FN4/c1-11-4-5-18-14(6-11)20(3)15-7-12(2)8-16(19-15)21-9-13(17)10-21/h4-8,13H,9-10H2,1-3H3
InChIKeyLSIOKMMCIAIJQT-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
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WZ 811
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1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
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11-Ethyldipyrido[2,3-b:3',2'-f]azepine
CID 470619
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
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1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 123637938) is 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(N(C)c2cc(C)cc(N3CC(F)C3)n2)c1.
What is the InChIKey of 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is LSIOKMMCIAIJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-11-4-5-18-14(6-11)20(3)15-7-12(2)8-16(19-15)21-9-13(17)10-21/h4-8,13H,9-10H2,1-3H3.
What are the key properties of 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 286.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroazetidin-1-yl)-N,4-dimethyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 123637938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).