2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile

C25H23N3OS — CID 23913750

IUPAC2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile
SMILESCCC(Sc1nc(C(C)C)ccc1C#N)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H23N3OS/c1-4-23(30-24-17(15-26)13-14-20(27-24)16(2)3)25(29)28-21-11-7-5-9-18(21)19-10-6-8-12-22(19)28/h5-14,16,23H,4H2,1-3H3
InChIKeyPDAWDWBJCZHSIU-UHFFFAOYSA-N
MW413.55 g/mol
LogP6.40
Rot. Bonds5

About 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile

2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 23913750) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID23913750
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC Name2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile
SMILESCCC(Sc1nc(C(C)C)ccc1C#N)C(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C25H23N3OS/c1-4-23(30-24-17(15-26)13-14-20(27-24)16(2)3)25(29)28-21-11-7-5-9-18(21)19-10-6-8-12-22(19)28/h5-14,16,23H,4H2,1-3H3
InChIKeyPDAWDWBJCZHSIU-UHFFFAOYSA-N
XLogP6.40
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-(4-methoxyphenyl)-2-[1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl]sulfanylpyridine-3-carbonitrile
CID 23831325
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
CID 21232515
2-[1-oxo-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-2-yl]sulfanyl-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23744254
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N,N-diphenylacetamide
CID 1230672
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23743217
1-carbazol-9-yl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]butan-1-one
CID 23915552
1-carbazol-9-yl-2-methylbutan-1-one
CID 58981488
N-[4-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylphenyl]-2-phenylacetamide
CID 23097713
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)butan-1-one
CID 23831317
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 25038454
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
CID 23886616
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 23742412

Frequently Asked Questions

What is the IUPAC name of 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile (CID 23913750) is 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile is CCC(Sc1nc(C(C)C)ccc1C#N)C(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is PDAWDWBJCZHSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-4-23(30-24-17(15-26)13-14-20(27-24)16(2)3)25(29)28-21-11-7-5-9-18(21)19-10-6-8-12-22(19)28/h5-14,16,23H,4H2,1-3H3.
What are the key properties of 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile?
2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 413.55 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 23913750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).