(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

C15H13ClN2O3 — CID 70685931

IUPAC(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1cncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-13-6-12(8-17-9-13)11-3-2-10(14(16)7-11)4-5-15(19)18-20/h2-9,20H,1H3,(H,18,19)/b5-4+
InChIKeyWDIBBQANASKNHL-SNAWJCMRSA-N
MW304.73 g/mol
LogP2.93
Rot. Bonds4

About (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70685931) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70685931
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1cncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)c1
InChIInChI=1S/C15H13ClN2O3/c1-21-13-6-12(8-17-9-13)11-3-2-10(14(16)7-11)4-5-15(19)18-20/h2-9,20H,1H3,(H,18,19)/b5-4+
InChIKeyWDIBBQANASKNHL-SNAWJCMRSA-N
XLogP2.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.93
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-(3-Chloro-phenyl)-5-((R)-pyrrolidin-3-yloxy)-pyridine
CID 44266554
(E)-3-[2-chloro-4-(6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70683802
(E)-3-[2-chloro-4-(6-methoxy-4-methyl-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692247
(E)-3-[2-chloro-4-(2-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70694321
4-(5-Methoxypyridin-3-yl)benzamide
CID 39817743
5-[5-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-1H-pyridin-2-one
CID 145982308
(E)-3-[2-chloro-4-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692248
2-Chloro-4-[5-(2-fluoroethoxy)-3-pyridinyl]benzonitrile
CID 172446323
2-Chloro-4-[5-(3-fluoropropoxy)-3-pyridinyl]benzonitrile
CID 172451304
3-(2-Chloro-4-fluorophenyl)-5-methoxypyridine
CID 56702612
5-[(3-Chloro-2-fluorophenyl)methyl]-2-fluoro-3-methoxypyridine
CID 58626689
3-(4-Chlorophenyl)-2-fluoro-5-methoxypyridine
CID 69113696

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide (CID 70685931) is (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is COc1cncc(-c2ccc(/C=C/C(=O)NO)c(Cl)c2)c1.
What is the InChIKey of (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is WDIBBQANASKNHL-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-13-6-12(8-17-9-13)11-3-2-10(14(16)7-11)4-5-15(19)18-20/h2-9,20H,1H3,(H,18,19)/b5-4+.
What are the key properties of (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 304.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-4-(5-methoxy-3-pyridinyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70685931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).