1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine

C13H17FN4 — CID 105390662

IUPAC1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCCc1nccn1-c1nccc(CNC)c1F
InChIInChI=1S/C13H17FN4/c1-3-4-11-16-7-8-18(11)13-12(14)10(9-15-2)5-6-17-13/h5-8,15H,3-4,9H2,1-2H3
InChIKeyNPCJNBYMOVXNKL-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.08
Rot. Bonds5

About 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105390662) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105390662
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCCc1nccn1-c1nccc(CNC)c1F
InChIInChI=1S/C13H17FN4/c1-3-4-11-16-7-8-18(11)13-12(14)10(9-15-2)5-6-17-13/h5-8,15H,3-4,9H2,1-2H3
InChIKeyNPCJNBYMOVXNKL-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390663
[2-(2-ethylimidazol-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383215
1-(3-fluoro-2-pyrazol-1-yl-4-pyridinyl)-N-methylmethanamine
CID 105390553
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389603
1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390610
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389819
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine
CID 105383707
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777158

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 105390662) is 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine is CCCc1nccn1-c1nccc(CNC)c1F.
What is the InChIKey of 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is NPCJNBYMOVXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-4-11-16-7-8-18(11)13-12(14)10(9-15-2)5-6-17-13/h5-8,15H,3-4,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 248.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105390662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).