6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine

C23H25FN6 — CID 123726198

IUPAC6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncc(N3CCC(CN)CC3)c2)ncc1N)c1ccccc1F
InChIInChI=1S/C23H25FN6/c24-20-4-2-1-3-18(20)23(27)19-10-22(29-14-21(19)26)16-9-17(13-28-12-16)30-7-5-15(11-25)6-8-30/h1-4,9-10,12-15,27H,5-8,11,25-26H2/b27-23+
InChIKeyNPLHSKAYBKZTGT-SLEBQGDGSA-N
MW404.49 g/mol
LogP3.46
Rot. Bonds5

About 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine

6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine (PubChem CID 123726198) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine
PubChem CID123726198
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncc(N3CCC(CN)CC3)c2)ncc1N)c1ccccc1F
InChIInChI=1S/C23H25FN6/c24-20-4-2-1-3-18(20)23(27)19-10-22(29-14-21(19)26)16-9-17(13-28-12-16)30-7-5-15(11-25)6-8-30/h1-4,9-10,12-15,27H,5-8,11,25-26H2/b27-23+
InChIKeyNPLHSKAYBKZTGT-SLEBQGDGSA-N
XLogP3.46
TPSA104.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine with MolForge

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Related Compounds

4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
1-[5-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]azepan-4-amine
CID 71253819
4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
CID 144529735
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
CID 144529562
1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302
acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine
CID 144529529
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 123997725
[1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]piperidin-4-yl]methanamine
CID 78054696
1-[5-[5-(2-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]-3-pyridinyl]piperidin-4-amine
CID 67960184
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine?
The IUPAC name of 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine (CID 123726198) is 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine.
What is the SMILES notation for 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine?
The canonical SMILES for 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine is [H]/N=C(/c1cc(-c2cncc(N3CCC(CN)CC3)c2)ncc1N)c1ccccc1F.
What is the InChIKey of 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine?
The InChIKey is NPLHSKAYBKZTGT-SLEBQGDGSA-N. The full InChI is InChI=1S/C23H25FN6/c24-20-4-2-1-3-18(20)23(27)19-10-22(29-14-21(19)26)16-9-17(13-28-12-16)30-7-5-15(11-25)6-8-30/h1-4,9-10,12-15,27H,5-8,11,25-26H2/b27-23+.
What are the key properties of 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine?
6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine has a molecular weight of 404.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine is sourced from PubChem (CID 123726198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).