5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide

C23H19N3O3S — CID 138858345

IUPAC5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide
SMILESC#CCSc1nc(C)c(C(=O)Nc2ccccc2OC)c(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C23H19N3O3S/c1-5-12-30-23-16(13-24)21(19-11-10-14(2)29-19)20(15(3)25-23)22(27)26-17-8-6-7-9-18(17)28-4/h1,6-11H,12H2,2-4H3,(H,26,27)
InChIKeyAMJAMCFPVGOMOR-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.82
Rot. Bonds6

About 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide

5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide (PubChem CID 138858345) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide
PubChem CID138858345
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide
SMILESC#CCSc1nc(C)c(C(=O)Nc2ccccc2OC)c(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C23H19N3O3S/c1-5-12-30-23-16(13-24)21(19-11-10-14(2)29-19)20(15(3)25-23)22(27)26-17-8-6-7-9-18(17)28-4/h1,6-11H,12H2,2-4H3,(H,26,27)
InChIKeyAMJAMCFPVGOMOR-UHFFFAOYSA-N
XLogP4.82
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-4-(4-methoxyphenyl)-2-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 1050499
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 23007657
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 23917283
5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 45032134
5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide
CID 4094278
6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 45032130
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide
CID 17088867
5-cyano-4-(4-methoxyphenyl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 45032127
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
N-(2-methoxyphenyl)pent-4-ynamide
CID 82363143
(4R)-3-cyano-N-(2-methoxyphenyl)-6-methyl-2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 134715953
5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide
CID 2537904

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide (CID 138858345) is 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide is C#CCSc1nc(C)c(C(=O)Nc2ccccc2OC)c(-c2ccc(C)o2)c1C#N.
What is the InChIKey of 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide?
The InChIKey is AMJAMCFPVGOMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-5-12-30-23-16(13-24)21(19-11-10-14(2)29-19)20(15(3)25-23)22(27)26-17-8-6-7-9-18(17)28-4/h1,6-11H,12H2,2-4H3,(H,26,27).
What are the key properties of 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide?
5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-6-prop-2-ynylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 138858345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).