4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine

C22H22FN5 — CID 123281193

IUPAC4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cnccc2N2CCCCC2)ncc1N)c1ccccc1F
InChIInChI=1S/C22H22FN5/c23-18-7-3-2-6-15(18)22(25)16-12-20(27-14-19(16)24)17-13-26-9-8-21(17)28-10-4-1-5-11-28/h2-3,6-9,12-14,25H,1,4-5,10-11,24H2/b25-22+
InChIKeyCKJHDAJZVJTNFE-YYDJUVGSSA-N
MW375.45 g/mol
LogP4.27
Rot. Bonds4

About 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine

4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine (PubChem CID 123281193) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine
PubChem CID123281193
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cnccc2N2CCCCC2)ncc1N)c1ccccc1F
InChIInChI=1S/C22H22FN5/c23-18-7-3-2-6-15(18)22(25)16-12-20(27-14-19(16)24)17-13-26-9-8-21(17)28-10-4-1-5-11-28/h2-3,6-9,12-14,25H,1,4-5,10-11,24H2/b25-22+
InChIKeyCKJHDAJZVJTNFE-YYDJUVGSSA-N
XLogP4.27
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
BC-1215
CID 72201045
Anabasamine
CID 161313
N-3-Pyridinyl-9-acridinamine
CID 53313
4-Piperazin-1-yl-quinoline
CID 1534386
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
N-(2-pyridinylmethyl)-N-{4-[4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl]benzyl}amine
CID 503778
Anabasamine hydrochloride
CID 438950
2-Phenylpyridin-4-amine
CID 2762833
4-(4-Methylpiperazino)-2-(4-pyridyl)quinoline
CID 453071
4,4'-Diphenyl-2,2'-bipyridine
CID 80259

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine (CID 123281193) is 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine is [H]/N=C(/c1cc(-c2cnccc2N2CCCCC2)ncc1N)c1ccccc1F.
What is the InChIKey of 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine?
The InChIKey is CKJHDAJZVJTNFE-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H22FN5/c23-18-7-3-2-6-15(18)22(25)16-12-20(27-14-19(16)24)17-13-26-9-8-21(17)28-10-4-1-5-11-28/h2-3,6-9,12-14,25H,1,4-5,10-11,24H2/b25-22+.
What are the key properties of 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine?
4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine has a molecular weight of 375.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzenecarboximidoyl)-6-(4-piperidin-1-yl-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 123281193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).