N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide

C14H14N4OS — CID 3714345

IUPACN-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide
SMILESNC(CSc1ccccc1)=NNC(=O)c1ccncc1
InChIInChI=1S/C14H14N4OS/c15-13(10-20-12-4-2-1-3-5-12)17-18-14(19)11-6-8-16-9-7-11/h1-9H,10H2,(H2,15,17)(H,18,19)
InChIKeySTEUTWNVMIULPZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.88
Rot. Bonds5

About N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide

N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide (PubChem CID 3714345) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide
PubChem CID3714345
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide
SMILESNC(CSc1ccccc1)=NNC(=O)c1ccncc1
InChIInChI=1S/C14H14N4OS/c15-13(10-20-12-4-2-1-3-5-12)17-18-14(19)11-6-8-16-9-7-11/h1-9H,10H2,(H2,15,17)(H,18,19)
InChIKeySTEUTWNVMIULPZ-UHFFFAOYSA-N
XLogP1.88
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide (CID 3714345) is N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide is NC(CSc1ccccc1)=NNC(=O)c1ccncc1.
What is the InChIKey of N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide?
The InChIKey is STEUTWNVMIULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-13(10-20-12-4-2-1-3-5-12)17-18-14(19)11-6-8-16-9-7-11/h1-9H,10H2,(H2,15,17)(H,18,19).
What are the key properties of N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide?
N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 3714345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).