2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile

C24H21FN6O — CID 171743892

IUPAC2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile
SMILESCn1ccc(-c2cnc(N3CCC(N)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1=O
InChIInChI=1S/C24H21FN6O/c1-30-7-4-15(11-22(30)32)20-14-29-24(31-8-5-18(28)6-9-31)19(13-27)23(20)16-2-3-17(12-26)21(25)10-16/h2-4,7,10-11,14,18H,5-6,8-9,28H2,1H3
InChIKeyDSKWEVHTXDYDCO-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile

2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile (PubChem CID 171743892) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile
PubChem CID171743892
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile
SMILESCn1ccc(-c2cnc(N3CCC(N)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1=O
InChIInChI=1S/C24H21FN6O/c1-30-7-4-15(11-22(30)32)20-14-29-24(31-8-5-18(28)6-9-31)19(13-27)23(20)16-2-3-17(12-26)21(25)10-16/h2-4,7,10-11,14,18H,5-6,8-9,28H2,1H3
InChIKeyDSKWEVHTXDYDCO-UHFFFAOYSA-N
XLogP2.92
TPSA111.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile (CID 171743892) is 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile is Cn1ccc(-c2cnc(N3CCC(N)CC3)c(C#N)c2-c2ccc(C#N)c(F)c2)cc1=O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is DSKWEVHTXDYDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-30-7-4-15(11-22(30)32)20-14-29-24(31-8-5-18(28)6-9-31)19(13-27)23(20)16-2-3-17(12-26)21(25)10-16/h2-4,7,10-11,14,18H,5-6,8-9,28H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile?
2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 428.47 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171743892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).