2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide

C27H28N4OS — CID 23743217

IUPAC2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)n1
InChIInChI=1S/C27H28N4OS/c1-4-9-19-13-12-18(17-28)27(30-19)33-25(5-2)26(32)29-20-14-15-24-22(16-20)21-10-7-8-11-23(21)31(24)6-3/h7-8,10-16,25H,4-6,9H2,1-3H3,(H,29,32)
InChIKeyIYJRJANOSIDHHH-UHFFFAOYSA-N
MW456.62 g/mol
LogP6.54
Rot. Bonds8

About 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide (PubChem CID 23743217) has the molecular formula C27H28N4OS and a molecular weight of 456.62 g/mol. Its IUPAC name is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
PubChem CID23743217
Molecular FormulaC27H28N4OS
Molecular Weight456.62 g/mol
Exact Mass456.20
IUPAC Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)n1
InChIInChI=1S/C27H28N4OS/c1-4-9-19-13-12-18(17-28)27(30-19)33-25(5-2)26(32)29-20-14-15-24-22(16-20)21-10-7-8-11-23(21)31(24)6-3/h7-8,10-16,25H,4-6,9H2,1-3H3,(H,29,32)
InChIKeyIYJRJANOSIDHHH-UHFFFAOYSA-N
XLogP6.54
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.62
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide with MolForge

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Related Compounds

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
CID 23830325
N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
CID 23998194
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23886461
2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
CID 18912315
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 23997374
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23998162
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 19299003
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 18912963
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886438
ethyl 4-cyano-5-[2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]butanoylamino]-3-methylthiophene-2-carboxylate
CID 23829585
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25044931

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide?
The IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide (CID 23743217) is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide.
What is the SMILES notation for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide?
The canonical SMILES for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide is CCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)n1.
What is the InChIKey of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide?
The InChIKey is IYJRJANOSIDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4OS/c1-4-9-19-13-12-18(17-28)27(30-19)33-25(5-2)26(32)29-20-14-15-24-22(16-20)21-10-7-8-11-23(21)31(24)6-3/h7-8,10-16,25H,4-6,9H2,1-3H3,(H,29,32).
What are the key properties of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide?
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide has a molecular weight of 456.62 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide is sourced from PubChem (CID 23743217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).