3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide

C19H21N3O2S — CID 23746060

IUPAC3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCSc2nc(C(C)C)ccc2C#N)c1
InChIInChI=1S/C19H21N3O2S/c1-13(2)17-8-7-14(12-20)19(22-17)25-10-9-18(23)21-15-5-4-6-16(11-15)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,21,23)
InChIKeyKMRHIMFXFZJZHI-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.21
Rot. Bonds7

About 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide

3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide (PubChem CID 23746060) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
PubChem CID23746060
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCSc2nc(C(C)C)ccc2C#N)c1
InChIInChI=1S/C19H21N3O2S/c1-13(2)17-8-7-14(12-20)19(22-17)25-10-9-18(23)21-15-5-4-6-16(11-15)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,21,23)
InChIKeyKMRHIMFXFZJZHI-UHFFFAOYSA-N
XLogP4.21
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 23889275
3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 23804271
3-[3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoic acid
CID 21233167
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4013372
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 43812140
3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23917395
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 23833065
3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-naphthalen-1-ylpropanamide
CID 23917274
4-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)butanamide
CID 16957371
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 33227599
3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 23804269
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide (CID 23746060) is 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCSc2nc(C(C)C)ccc2C#N)c1.
What is the InChIKey of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is KMRHIMFXFZJZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13(2)17-8-7-14(12-20)19(22-17)25-10-9-18(23)21-15-5-4-6-16(11-15)24-3/h4-8,11,13H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide?
3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 23746060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).