4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine

C21H21FN6 — CID 123292957

IUPAC4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine
SMILES[H]/N=C(\c1cccc(C2(F)CCNCC2)n1)c1cc(-c2cccnc2)ncc1N
InChIInChI=1S/C21H21FN6/c22-21(6-9-25-10-7-21)19-5-1-4-17(28-19)20(24)15-11-18(27-13-16(15)23)14-3-2-8-26-12-14/h1-5,8,11-13,24-25H,6-7,9-10,23H2/b24-20-
InChIKeyLUTKXXUYLYFWHS-GFMRDNFCSA-N
MW376.44 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine

4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine (PubChem CID 123292957) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine.

Molecular Properties

Compound Name4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine
PubChem CID123292957
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine
SMILES[H]/N=C(\c1cccc(C2(F)CCNCC2)n1)c1cc(-c2cccnc2)ncc1N
InChIInChI=1S/C21H21FN6/c22-21(6-9-25-10-7-21)19-5-1-4-17(28-19)20(24)15-11-18(27-13-16(15)23)14-3-2-8-26-12-14/h1-5,8,11-13,24-25H,6-7,9-10,23H2/b24-20-
InChIKeyLUTKXXUYLYFWHS-GFMRDNFCSA-N
XLogP3.09
TPSA100.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

BC-1215
CID 72201045
Anabasamine
CID 161313
N-3-Pyridinyl-9-acridinamine
CID 53313
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CID 503778
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
rac-N1-(1-(4-Methylpyridin-2-yl)ethyl)-N1-(3-methylpyridin-2-yl)methyl)butane-1,4-diamine
CID 53324136
3-(5-Phenyl-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
CID 69629839
3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
CID 134132646
(R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine
CID 134265735
N-(2-pyridinylmethyl)-N-{4-[4,7,10,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-4-ylmethyl]benzyl}amine
CID 503781

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
The IUPAC name of 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine (CID 123292957) is 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine.
What is the SMILES notation for 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
The canonical SMILES for 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine is [H]/N=C(\c1cccc(C2(F)CCNCC2)n1)c1cc(-c2cccnc2)ncc1N.
What is the InChIKey of 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
The InChIKey is LUTKXXUYLYFWHS-GFMRDNFCSA-N. The full InChI is InChI=1S/C21H21FN6/c22-21(6-9-25-10-7-21)19-5-1-4-17(28-19)20(24)15-11-18(27-13-16(15)23)14-3-2-8-26-12-14/h1-5,8,11-13,24-25H,6-7,9-10,23H2/b24-20-.
What are the key properties of 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine?
4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine has a molecular weight of 376.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluoropiperidin-4-yl)pyridine-2-carboximidoyl]-6-pyridin-3-ylpyridin-3-amine is sourced from PubChem (CID 123292957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).