5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide

C19H15N3O2S — CID 920217

IUPAC5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1
InChIInChI=1S/C19H15N3O2S/c1-11-6-3-4-7-14(11)22-18(23)16-12(2)21-19(25)13(10-20)17(16)15-8-5-9-24-15/h3-9H,1-2H3,(H,21,25)(H,22,23)
InChIKeyNVBABPRVFJDOKL-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.75
Rot. Bonds3

About 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide

5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 920217) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID920217
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1
InChIInChI=1S/C19H15N3O2S/c1-11-6-3-4-7-14(11)22-18(23)16-12(2)21-19(25)13(10-20)17(16)15-8-5-9-24-15/h3-9H,1-2H3,(H,21,25)(H,22,23)
InChIKeyNVBABPRVFJDOKL-UHFFFAOYSA-N
XLogP4.75
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-yl)-5-methyl-N-(2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110682318
5-cyano-4-(3-methoxyphenyl)-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 121333439
3-amino-4-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-2-(3-nitrobenzoyl)thieno[2,3-b]pyridine-5-carboxamide
CID 23769743
(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
CID 1142232
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134693303
3-chloro-N-(2-cyano-3-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103577794
5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide
CID 2537904
4,5-bis(furan-2-yl)-2-[(2-methyl-1H-indol-3-yl)methylideneamino]furan-3-carbonitrile
CID 2356082
CID 154689071
CID 154689071
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
1-(furan-2-yl)-3-sulfanylidene-5,6,7,8,9,10,11,12-octahydro-2H-cyclodeca[c]pyridine-4-carbonitrile
CID 15665198

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide (CID 920217) is 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1.
What is the InChIKey of 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is NVBABPRVFJDOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-6-3-4-7-14(11)22-18(23)16-12(2)21-19(25)13(10-20)17(16)15-8-5-9-24-15/h3-9H,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 920217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).