3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine

C16H22FN3S — CID 105389308

IUPAC3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)C(C)c2cccs2)c1F
InChIInChI=1S/C16H22FN3S/c1-4-8-18-11-13-7-9-19-16(15(13)17)20(3)12(2)14-6-5-10-21-14/h5-7,9-10,12,18H,4,8,11H2,1-3H3
InChIKeyPSFNQJQPFMYKSD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.98
Rot. Bonds7

About 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine

3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 105389308) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID105389308
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC Name3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)C(C)c2cccs2)c1F
InChIInChI=1S/C16H22FN3S/c1-4-8-18-11-13-7-9-19-16(15(13)17)20(3)12(2)14-6-5-10-21-14/h5-7,9-10,12,18H,4,8,11H2,1-3H3
InChIKeyPSFNQJQPFMYKSD-UHFFFAOYSA-N
XLogP3.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389300
[3-fluoro-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4-pyridinyl]methanol
CID 105383120
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389581
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 80508987
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
2-(ethylaminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 55059591
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine (CID 105389308) is 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine is CCCNCc1ccnc(N(C)C(C)c2cccs2)c1F.
What is the InChIKey of 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is PSFNQJQPFMYKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-4-8-18-11-13-7-9-19-16(15(13)17)20(3)12(2)14-6-5-10-21-14/h5-7,9-10,12,18H,4,8,11H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine?
3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 307.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 105389308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).