N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide

C23H21N3O3S — CID 25265749

IUPACN-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
SMILESCSc1ccc(/C=C(/C(=O)NCc2ccc(C(=O)NO)cc2)c2cccnc2)cc1
InChIInChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+
InChIKeyCZIFWUIZPKVGJZ-FYJGNVAPSA-N
MW419.51 g/mol
LogP3.78
Rot. Bonds7

About N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide

N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide (PubChem CID 25265749) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
PubChem CID25265749
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
SMILESCSc1ccc(/C=C(/C(=O)NCc2ccc(C(=O)NO)cc2)c2cccnc2)cc1
InChIInChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+
InChIKeyCZIFWUIZPKVGJZ-FYJGNVAPSA-N
XLogP3.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(2-aminophenyl)-4-[[[(E)-2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzamide
CID 25265023
(E)-2-cyano-3-(4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 17373391
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N-[1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 4279184
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 59575500
(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2310363
(E)-3-(4-fluorophenyl)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-phenylprop-2-enamide
CID 59475037
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide (CID 25265749) is N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide is CSc1ccc(/C=C(/C(=O)NCc2ccc(C(=O)NO)cc2)c2cccnc2)cc1.
What is the InChIKey of N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide?
The InChIKey is CZIFWUIZPKVGJZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+.
What are the key properties of N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide?
N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide is sourced from PubChem (CID 25265749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).