4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride

C25H22ClFN6O2 — CID 170357570

IUPAC4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride
SMILESCl.N#Cc1ccc(-c2c(-c3ccc(C(=O)NO)cc3)cnc(N3CCC(N)CC3)c2C#N)cc1F
InChIInChI=1S/C25H21FN6O2.ClH/c26-22-11-17(5-6-18(22)12-27)23-20(13-28)24(32-9-7-19(29)8-10-32)30-14-21(23)15-1-3-16(4-2-15)25(33)31-34;/h1-6,11,14,19,34H,7-10,29H2,(H,31,33);1H
InChIKeyBQBYUQMMAUZDLN-UHFFFAOYSA-N
MW492.94 g/mol
LogP3.77
Rot. Bonds4

About 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride

4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride (PubChem CID 170357570) has the molecular formula C25H22ClFN6O2 and a molecular weight of 492.94 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride
PubChem CID170357570
Molecular FormulaC25H22ClFN6O2
Molecular Weight492.94 g/mol
Exact Mass492.15
IUPAC Name4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride
SMILESCl.N#Cc1ccc(-c2c(-c3ccc(C(=O)NO)cc3)cnc(N3CCC(N)CC3)c2C#N)cc1F
InChIInChI=1S/C25H21FN6O2.ClH/c26-22-11-17(5-6-18(22)12-27)23-20(13-28)24(32-9-7-19(29)8-10-32)30-14-21(23)15-1-3-16(4-2-15)25(33)31-34;/h1-6,11,14,19,34H,7-10,29H2,(H,31,33);1H
InChIKeyBQBYUQMMAUZDLN-UHFFFAOYSA-N
XLogP3.77
TPSA139.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride with MolForge

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Related Compounds

methyl 4-[5-cyano-4-(4-cyano-3-fluorophenyl)-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]benzoate
CID 177282741
4-[2-(4-aminopiperidin-1-yl)-3-isocyano-5-(4-methoxyphenyl)-4-pyridinyl]-2-fluorobenzonitrile
CID 171743602
2-(4-amino-3-fluoropiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile
CID 171743667
(E)-3-[5-[[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]amino]methyl]pyrimidin-2-yl]-N-hydroxyprop-2-enamide
CID 177282493
2-[3-[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]amino]propyl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 177282603
(E)-3-[4-[[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-[3-hydroxy-4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperidin-4-yl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 177282644
3-[4-[[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]piperidin-4-yl]amino]methyl]-2-fluorophenyl]-N-hydroxypropanamide
CID 177282583
2-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-hydroxy-4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 171743976
(E)-3-[2-cyano-4-[[[1-[3-cyano-4-(4-cyano-3-fluorophenyl)-5-[3-hydroxy-4-(2-hydroxy-2-methylpropoxy)phenyl]-2-pyridinyl]piperidin-4-yl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 177282572
2-(4-aminopiperidin-1-yl)-5-(4-cyano-3-fluorophenyl)-6-(3-hydroxy-4-methoxyphenyl)pyridine-3-carbonitrile;hydrochloride
CID 165141523
4-(4-cyano-3-fluorophenyl)-5-(4-methoxy-3-phenylmethoxyphenyl)-2-piperidin-1-ylpyridine-3-carbonitrile
CID 175978786
[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132118

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride (CID 170357570) is 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride is Cl.N#Cc1ccc(-c2c(-c3ccc(C(=O)NO)cc3)cnc(N3CCC(N)CC3)c2C#N)cc1F.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride?
The InChIKey is BQBYUQMMAUZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2.ClH/c26-22-11-17(5-6-18(22)12-27)23-20(13-28)24(32-9-7-19(29)8-10-32)30-14-21(23)15-1-3-16(4-2-15)25(33)31-34;/h1-6,11,14,19,34H,7-10,29H2,(H,31,33);1H.
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride?
4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride has a molecular weight of 492.94 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)-5-cyano-4-(4-cyano-3-fluorophenyl)-3-pyridinyl]-N-hydroxybenzamide;hydrochloride is sourced from PubChem (CID 170357570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).