2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide

C19H22N4OS — CID 23886438

IUPAC2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
SMILESCCC(Sc1nc(CC(C)C)ccc1C#N)C(=O)Nc1cccnc1
InChIInChI=1S/C19H22N4OS/c1-4-17(18(24)22-16-6-5-9-21-12-16)25-19-14(11-20)7-8-15(23-19)10-13(2)3/h5-9,12-13,17H,4,10H2,1-3H3,(H,22,24)
InChIKeyAXQLAOUQSDCMDM-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.06
Rot. Bonds7

About 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide

2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide (PubChem CID 23886438) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
PubChem CID23886438
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
SMILESCCC(Sc1nc(CC(C)C)ccc1C#N)C(=O)Nc1cccnc1
InChIInChI=1S/C19H22N4OS/c1-4-17(18(24)22-16-6-5-9-21-12-16)25-19-14(11-20)7-8-15(23-19)10-13(2)3/h5-9,12-13,17H,4,10H2,1-3H3,(H,22,24)
InChIKeyAXQLAOUQSDCMDM-UHFFFAOYSA-N
XLogP4.06
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23998162
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
CID 23830325
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-pyridin-3-ylbutanamide
CID 23801561
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
CID 25036432
2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyridin-3-ylbutanamide
CID 23830324
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23743217
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
CID 21232515
3-[3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoic acid
CID 21233167
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 23742412
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 23997374
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331
ethyl 5-[2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
CID 23885643

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide?
The IUPAC name of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide (CID 23886438) is 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide?
The canonical SMILES for 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide is CCC(Sc1nc(CC(C)C)ccc1C#N)C(=O)Nc1cccnc1.
What is the InChIKey of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide?
The InChIKey is AXQLAOUQSDCMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-4-17(18(24)22-16-6-5-9-21-12-16)25-19-14(11-20)7-8-15(23-19)10-13(2)3/h5-9,12-13,17H,4,10H2,1-3H3,(H,22,24).
What are the key properties of 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide?
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide has a molecular weight of 354.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 23886438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).