acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine

C24H26FN5O — CID 144529529

IUPACacetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine
SMILESC#C.C1CCNCC1.[H]/N=C(/c1cc(-c2c[nH]ccc2=O)ncc1N)c1ccccc1F
InChIInChI=1S/C17H13FN4O.C5H11N.C2H2/c18-13-4-2-1-3-10(13)17(20)11-7-15(22-9-14(11)19)12-8-21-6-5-16(12)23;1-2-4-6-5-3-1;1-2/h1-9,20H,19H2,(H,21,23);6H,1-5H2;1-2H/b20-17+;;
InChIKeyWCHXFWUOGIOFOG-NNIZZXHBSA-N
MW419.50 g/mol
LogP3.58
Rot. Bonds3

About acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine

acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine (PubChem CID 144529529) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine.

Molecular Properties

Compound Nameacetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine
PubChem CID144529529
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Nameacetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine
SMILESC#C.C1CCNCC1.[H]/N=C(/c1cc(-c2c[nH]ccc2=O)ncc1N)c1ccccc1F
InChIInChI=1S/C17H13FN4O.C5H11N.C2H2/c18-13-4-2-1-3-10(13)17(20)11-7-15(22-9-14(11)19)12-8-21-6-5-16(12)23;1-2-4-6-5-3-1;1-2/h1-9,20H,19H2,(H,21,23);6H,1-5H2;1-2H/b20-17+;;
InChIKeyWCHXFWUOGIOFOG-NNIZZXHBSA-N
XLogP3.58
TPSA107.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-1H-pyridin-4-one
CID 71267884
6-[5-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-4-(2-fluorobenzenecarboximidoyl)pyridin-3-amine
CID 123726198
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen
CID 144529575
4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-6-[5-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 123997725
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
(2-fluorophenyl)-(2,4,6-trimethylphenyl)methanimine
CID 11615657
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
CID 123808337
5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol
CID 135815561
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565

Frequently Asked Questions

What is the IUPAC name of acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine?
The IUPAC name of acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine (CID 144529529) is acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine.
What is the SMILES notation for acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine?
The canonical SMILES for acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine is C#C.C1CCNCC1.[H]/N=C(/c1cc(-c2c[nH]ccc2=O)ncc1N)c1ccccc1F.
What is the InChIKey of acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine?
The InChIKey is WCHXFWUOGIOFOG-NNIZZXHBSA-N. The full InChI is InChI=1S/C17H13FN4O.C5H11N.C2H2/c18-13-4-2-1-3-10(13)17(20)11-7-15(22-9-14(11)19)12-8-21-6-5-16(12)23;1-2-4-6-5-3-1;1-2/h1-9,20H,19H2,(H,21,23);6H,1-5H2;1-2H/b20-17+;;.
What are the key properties of acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine?
acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine has a molecular weight of 419.50 g/mol, XLogP of 3.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-[5-amino-4-(2-fluorobenzenecarboximidoyl)-2-pyridinyl]-1H-pyridin-4-one;piperidine is sourced from PubChem (CID 144529529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).