N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H23FN4 — CID 105390663

IUPACN-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCc1nccn1-c1nccc(CNCC(C)C)c1F
InChIInChI=1S/C16H23FN4/c1-4-5-14-19-8-9-21(14)16-15(17)13(6-7-20-16)11-18-10-12(2)3/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyOTFCGOLWNRMHTE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.10
Rot. Bonds7

About N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105390663) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105390663
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCCCc1nccn1-c1nccc(CNCC(C)C)c1F
InChIInChI=1S/C16H23FN4/c1-4-5-14-19-8-9-21(14)16-15(17)13(6-7-20-16)11-18-10-12(2)3/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyOTFCGOLWNRMHTE-UHFFFAOYSA-N
XLogP3.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390662
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388710
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388871
[2-(2-ethylimidazol-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383215
N-[[2-(2-ethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105390466
N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105389986
N-[[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388788
N-[[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071538
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 105390228
N-[[2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105390296
3-fluoro-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 105388723

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105390663) is N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CCCc1nccn1-c1nccc(CNCC(C)C)c1F.
What is the InChIKey of N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OTFCGOLWNRMHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-4-5-14-19-8-9-21(14)16-15(17)13(6-7-20-16)11-18-10-12(2)3/h6-9,12,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105390663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).