N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide

C21H23N5O2 — CID 90805949

IUPACN-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide
SMILESCN1CCC[C@@H](n2c(-c3cncc(C=CC(=O)NO)c3)nc3ccccc32)C1
InChIInChI=1S/C21H23N5O2/c1-25-10-4-5-17(14-25)26-19-7-3-2-6-18(19)23-21(26)16-11-15(12-22-13-16)8-9-20(27)24-28/h2-3,6-9,11-13,17,28H,4-5,10,14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyNJFNNSNMZIZKMU-QGZVFWFLSA-N
MW377.45 g/mol
LogP2.88
Rot. Bonds4

About N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide

N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide (PubChem CID 90805949) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide
PubChem CID90805949
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide
SMILESCN1CCC[C@@H](n2c(-c3cncc(C=CC(=O)NO)c3)nc3ccccc32)C1
InChIInChI=1S/C21H23N5O2/c1-25-10-4-5-17(14-25)26-19-7-3-2-6-18(19)23-21(26)16-11-15(12-22-13-16)8-9-20(27)24-28/h2-3,6-9,11-13,17,28H,4-5,10,14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyNJFNNSNMZIZKMU-QGZVFWFLSA-N
XLogP2.88
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-[5-fluoro-1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87769399
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10068980
(E)-N-hydroxy-3-[3-[1-(1-prop-2-enylpiperidin-3-yl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 59715945
(E)-3-[4-fluoro-3-[5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 59715959
(E)-N-methyl-3-[3-[3-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]phenyl]prop-2-enamide
CID 58787430
(E)-4-[3-[1-(1-propylpiperidin-3-yl)benzimidazol-2-yl]phenyl]but-3-en-2-one
CID 58787439
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)-4-methyl-5-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11453207
(E)-3-[3-[1-[(3R)-1-ethylpiperidin-3-yl]-4-fluorobenzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87768823
(E)-4-[3-[1-[(3R)-piperidin-3-yl]benzimidazol-2-yl]phenyl]but-3-en-2-one
CID 58787355
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11245600
3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 72767174
3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 72967329

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide (CID 90805949) is N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide is CN1CCC[C@@H](n2c(-c3cncc(C=CC(=O)NO)c3)nc3ccccc32)C1.
What is the InChIKey of N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide?
The InChIKey is NJFNNSNMZIZKMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-10-4-5-17(14-25)26-19-7-3-2-6-18(19)23-21(26)16-11-15(12-22-13-16)8-9-20(27)24-28/h2-3,6-9,11-13,17,28H,4-5,10,14H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide?
N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide has a molecular weight of 377.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[5-[1-[(3R)-1-methylpiperidin-3-yl]benzimidazol-2-yl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 90805949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).