(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride

C15H16ClN3O2 — CID 87636088

IUPAC(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride
SMILESCc1ccc(Nc2ccc(/C=C/C(=O)NO)cn2)cc1.Cl
InChIInChI=1S/C15H15N3O2.ClH/c1-11-2-6-13(7-3-11)17-14-8-4-12(10-16-14)5-9-15(19)18-20;/h2-10,20H,1H3,(H,16,17)(H,18,19);1H/b9-5+;
InChIKeyRPYYBEXTCWVJMI-SZKNIZGXSA-N
MW305.77 g/mol
LogP3.07
Rot. Bonds4

About (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride

(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride (PubChem CID 87636088) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride
PubChem CID87636088
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride
SMILESCc1ccc(Nc2ccc(/C=C/C(=O)NO)cn2)cc1.Cl
InChIInChI=1S/C15H15N3O2.ClH/c1-11-2-6-13(7-3-11)17-14-8-4-12(10-16-14)5-9-15(19)18-20;/h2-10,20H,1H3,(H,16,17)(H,18,19);1H/b9-5+;
InChIKeyRPYYBEXTCWVJMI-SZKNIZGXSA-N
XLogP3.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-hydroxy-3-[6-[[1-(4-methylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enamide;hydrochloride
CID 87637894
N-hydroxy-3-[4-[(6-methyl-2-pyridinyl)amino]phenyl]prop-2-enamide
CID 91388739
(E)-N-hydroxy-3-[6-[[1-(4-methylbenzoyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enamide
CID 87637895
(E)-N-hydroxy-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 87636671
N-hydroxy-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]amino]-3-pyridinyl]prop-2-enamide;dihydrochloride
CID 173124805
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 897837
(E)-3-[6-(2,3-dihydro-1H-inden-2-ylamino)-3-pyridinyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 87637365
(E)-N-hydroxy-3-[4-[[[1-(4-methylanilino)isoquinolin-7-yl]amino]methyl]phenyl]prop-2-enamide
CID 122185150
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(4-chlorophenyl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 122297795
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride?
The IUPAC name of (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride (CID 87636088) is (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride is Cc1ccc(Nc2ccc(/C=C/C(=O)NO)cn2)cc1.Cl.
What is the InChIKey of (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride?
The InChIKey is RPYYBEXTCWVJMI-SZKNIZGXSA-N. The full InChI is InChI=1S/C15H15N3O2.ClH/c1-11-2-6-13(7-3-11)17-14-8-4-12(10-16-14)5-9-15(19)18-20;/h2-10,20H,1H3,(H,16,17)(H,18,19);1H/b9-5+;.
What are the key properties of (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride?
(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride has a molecular weight of 305.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 87636088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).