N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide

C16H15N3O2S — CID 73254540

IUPACN-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccncc1
InChIInChI=1S/C16H15N3O2S/c20-16(13-4-6-17-7-5-13)19-18-9-12-2-1-3-14(8-12)21-15-10-22-11-15/h1-9,15H,10-11H2,(H,19,20)/b18-9+
InChIKeyBDOFSXXZJZKRBM-GIJQJNRQSA-N
MW313.38 g/mol
LogP2.34
Rot. Bonds5

About N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 73254540) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID73254540
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccncc1
InChIInChI=1S/C16H15N3O2S/c20-16(13-4-6-17-7-5-13)19-18-9-12-2-1-3-14(8-12)21-15-10-22-11-15/h1-9,15H,10-11H2,(H,19,20)/b18-9+
InChIKeyBDOFSXXZJZKRBM-GIJQJNRQSA-N
XLogP2.34
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide 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

3-methyl-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]benzamide
CID 5341360
1-methyl-4-nitro-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 5434339
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 5403100
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
[3-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4566791
N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 3666073
2-(4-chloro-N-methylsulfonylanilino)-N-[[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 3296262

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide (CID 73254540) is N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccncc1.
What is the InChIKey of N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is BDOFSXXZJZKRBM-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(13-4-6-17-7-5-13)19-18-9-12-2-1-3-14(8-12)21-15-10-22-11-15/h1-9,15H,10-11H2,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 73254540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).