N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide

C15H15N3OS — CID 61121780

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C(N)=S)c2ccccc2)cn1
InChIInChI=1S/C15H15N3OS/c1-10-7-8-12(9-17-10)15(19)18-13(14(16)20)11-5-3-2-4-6-11/h2-9,13H,1H3,(H2,16,20)(H,18,19)
InChIKeyGMQAZIKAXJIEPO-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.15
Rot. Bonds4

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide (PubChem CID 61121780) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
PubChem CID61121780
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C(N)=S)c2ccccc2)cn1
InChIInChI=1S/C15H15N3OS/c1-10-7-8-12(9-17-10)15(19)18-13(14(16)20)11-5-3-2-4-6-11/h2-9,13H,1H3,(H2,16,20)(H,18,19)
InChIKeyGMQAZIKAXJIEPO-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
N-(2-amino-1-phenyl-2-sulfanylideneethyl)pyrimidine-5-carboxamide
CID 102921830
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3,4-difluorobenzamide
CID 61121577
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-hydroxy-2-methylbenzamide
CID 82809158
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylimidazole-4-carboxamide
CID 103510985
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylfuran-3-carboxamide
CID 61119424
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylfuran-2-carboxamide
CID 61119426
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide
CID 63021833
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide (CID 61121780) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C(N)=S)c2ccccc2)cn1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is GMQAZIKAXJIEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-7-8-12(9-17-10)15(19)18-13(14(16)20)11-5-3-2-4-6-11/h2-9,13H,1H3,(H2,16,20)(H,18,19).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 61121780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).