(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide

C17H17N3O3 — CID 137182367

IUPAC(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide
SMILESCOc1ccc(/N=C/C(C(=O)Nc2ccccc2)=C(\C)O)cn1
InChIInChI=1S/C17H17N3O3/c1-12(21)15(17(22)20-13-6-4-3-5-7-13)11-18-14-8-9-16(23-2)19-10-14/h3-11,21H,1-2H3,(H,20,22)/b15-12-,18-11+
InChIKeyOEQSVPVWPJWCQV-XVYOPAMHSA-N
MW311.34 g/mol
LogP3.26
Rot. Bonds5

About (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide

(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide (PubChem CID 137182367) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide
PubChem CID137182367
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide
SMILESCOc1ccc(/N=C/C(C(=O)Nc2ccccc2)=C(\C)O)cn1
InChIInChI=1S/C17H17N3O3/c1-12(21)15(17(22)20-13-6-4-3-5-7-13)11-18-14-8-9-16(23-2)19-10-14/h3-11,21H,1-2H3,(H,20,22)/b15-12-,18-11+
InChIKeyOEQSVPVWPJWCQV-XVYOPAMHSA-N
XLogP3.26
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide 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

(Z)-3-hydroxy-N-phenyl-2-(phenyliminomethyl)but-2-enamide
CID 135427204
(E)-2-[[3,5-bis(trifluoromethyl)phenyl]iminomethyl]-3-hydroxy-N-phenylbut-2-enamide
CID 135522887
3-hydroxy-N-phenyl-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]iminomethyl]but-2-enamide
CID 135498427
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
(Z)-3-hydroxy-2-methanimidoyl-N-phenylbut-2-enamide
CID 137099058
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
(Z)-3-hydroxy-2-[(E)-(phenylhydrazinylidene)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]but-2-enamide
CID 135909652
methyl (E)-3-hydroxy-2-[[2-[[(E)-3-hydroxy-2-methoxycarbonylbut-2-enylidene]amino]phenyl]iminomethyl]but-2-enoate
CID 177470894
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
CID 135907083

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide?
The IUPAC name of (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide (CID 137182367) is (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide is COc1ccc(/N=C/C(C(=O)Nc2ccccc2)=C(\C)O)cn1.
What is the InChIKey of (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide?
The InChIKey is OEQSVPVWPJWCQV-XVYOPAMHSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(21)15(17(22)20-13-6-4-3-5-7-13)11-18-14-8-9-16(23-2)19-10-14/h3-11,21H,1-2H3,(H,20,22)/b15-12-,18-11+.
What are the key properties of (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide?
(Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide has a molecular weight of 311.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[(6-methoxy-3-pyridinyl)iminomethyl]-N-phenylbut-2-enamide is sourced from PubChem (CID 137182367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).