6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile

C25H21F2N5O — CID 169103076

IUPAC6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
SMILESCOc1ccc(-c2c(C#N)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C25H21F2N5O/c1-33-22-5-4-15(10-21(22)27)24-18(14-29)12-23(32-8-6-19(30)7-9-32)31-25(24)16-2-3-17(13-28)20(26)11-16/h2-5,10-12,19H,6-9,30H2,1H3
InChIKeyNOBYCNUMKDYYDS-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.37
Rot. Bonds4

About 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile

6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile (PubChem CID 169103076) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
PubChem CID169103076
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
SMILESCOc1ccc(-c2c(C#N)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C25H21F2N5O/c1-33-22-5-4-15(10-21(22)27)24-18(14-29)12-23(32-8-6-19(30)7-9-32)31-25(24)16-2-3-17(13-28)20(26)11-16/h2-5,10-12,19H,6-9,30H2,1H3
InChIKeyNOBYCNUMKDYYDS-UHFFFAOYSA-N
XLogP4.37
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile (CID 169103076) is 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile is COc1ccc(-c2c(C#N)cc(N3CCC(N)CC3)nc2-c2ccc(C#N)c(F)c2)cc1F.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile?
The InChIKey is NOBYCNUMKDYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-33-22-5-4-15(10-21(22)27)24-18(14-29)12-23(32-8-6-19(30)7-9-32)31-25(24)16-2-3-17(13-28)20(26)11-16/h2-5,10-12,19H,6-9,30H2,1H3.
What are the key properties of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile?
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile has a molecular weight of 445.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 169103076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).