4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile

C16H21FN4 — CID 172599670

IUPAC4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile
SMILESCN1CCC(Nc2ncc3c(c2CF)CC(C#N)C3)CC1
InChIInChI=1S/C16H21FN4/c1-21-4-2-13(3-5-21)20-16-15(8-17)14-7-11(9-18)6-12(14)10-19-16/h10-11,13H,2-8H2,1H3,(H,19,20)
InChIKeySSMIZMOQEPIZBQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.30
Rot. Bonds3

About 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile

4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile (PubChem CID 172599670) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile
PubChem CID172599670
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile
SMILESCN1CCC(Nc2ncc3c(c2CF)CC(C#N)C3)CC1
InChIInChI=1S/C16H21FN4/c1-21-4-2-13(3-5-21)20-16-15(8-17)14-7-11(9-18)6-12(14)10-19-16/h10-11,13H,2-8H2,1H3,(H,19,20)
InChIKeySSMIZMOQEPIZBQ-UHFFFAOYSA-N
XLogP2.30
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile with MolForge

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Related Compounds

5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
6-hydrazinyl-N-(1-methylpiperidin-4-yl)-5-propylpyrimidin-4-amine
CID 80895120
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
5-bromo-3-chloro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 103579990
4-bromo-3-fluoro-5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
CID 177245895
3-[(1-methylpiperidin-4-yl)amino]pyrazine-2-carbothioamide
CID 55102703
1-methylpiperidine-4-carbonitrile
CID 11789206
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750428
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine
CID 88882235
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile?
The IUPAC name of 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile (CID 172599670) is 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile.
What is the SMILES notation for 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile?
The canonical SMILES for 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile is CN1CCC(Nc2ncc3c(c2CF)CC(C#N)C3)CC1.
What is the InChIKey of 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile?
The InChIKey is SSMIZMOQEPIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-21-4-2-13(3-5-21)20-16-15(8-17)14-7-11(9-18)6-12(14)10-19-16/h10-11,13H,2-8H2,1H3,(H,19,20).
What are the key properties of 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile?
4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carbonitrile is sourced from PubChem (CID 172599670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).