3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide

C23H20N4O2S — CID 55972147

IUPAC3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1C#N
InChIInChI=1S/C23H20N4O2S/c1-14-3-8-17(9-4-14)29-21-10-7-16(13-25-21)26-22(28)18-11-20(15-5-6-15)27-23(30-2)19(18)12-24/h3-4,7-11,13,15H,5-6H2,1-2H3,(H,26,28)
InChIKeyIQBRGQXIZAKEKH-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.30
Rot. Bonds6

About 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide

3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide (PubChem CID 55972147) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide
PubChem CID55972147
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1C#N
InChIInChI=1S/C23H20N4O2S/c1-14-3-8-17(9-4-14)29-21-10-7-16(13-25-21)26-22(28)18-11-20(15-5-6-15)27-23(30-2)19(18)12-24/h3-4,7-11,13,15H,5-6H2,1-2H3,(H,26,28)
InChIKeyIQBRGQXIZAKEKH-UHFFFAOYSA-N
XLogP5.30
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 86891552
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 55967853
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
5-(ethylsulfamoyl)-2-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55971765
3-cyano-6-cyclopropyl-2-methylsulfanyl-N'-(3-nitrobenzoyl)pyridine-4-carbohydrazide
CID 55456578
6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 71881969
2-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120798308
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
3-(cyclopropylsulfamoyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]benzamide
CID 55787755
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide?
The IUPAC name of 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide (CID 55972147) is 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide.
What is the SMILES notation for 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide?
The canonical SMILES for 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide is CSc1nc(C2CC2)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1C#N.
What is the InChIKey of 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide?
The InChIKey is IQBRGQXIZAKEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-14-3-8-17(9-4-14)29-21-10-7-16(13-25-21)26-22(28)18-11-20(15-5-6-15)27-23(30-2)19(18)12-24/h3-4,7-11,13,15H,5-6H2,1-2H3,(H,26,28).
What are the key properties of 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide?
3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide is sourced from PubChem (CID 55972147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).