6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide

C12H14N4OS — CID 23594782

IUPAC6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCSCCNC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N4OS/c1-18-7-5-14-12(17)10-2-3-11(15-8-10)16-6-4-13-9-16/h2-4,6,8-9H,5,7H2,1H3,(H,14,17)
InChIKeyYCVYWLJZYLVWKY-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.36
Rot. Bonds5

About 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide

6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (PubChem CID 23594782) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
PubChem CID23594782
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCSCCNC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H14N4OS/c1-18-7-5-14-12(17)10-2-3-11(15-8-10)16-6-4-13-9-16/h2-4,6,8-9H,5,7H2,1H3,(H,14,17)
InChIKeyYCVYWLJZYLVWKY-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide
CID 46541768
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
N-[(3-hydroxycyclopentyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 103279750

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (CID 23594782) is 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is CSCCNC(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The InChIKey is YCVYWLJZYLVWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-18-7-5-14-12(17)10-2-3-11(15-8-10)16-6-4-13-9-16/h2-4,6,8-9H,5,7H2,1H3,(H,14,17).
What are the key properties of 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23594782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).