4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C21H17N3O — CID 168587133

IUPAC4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C)c3[nH]c4ccccc4c3c2C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C21H17N3O/c1-11-8-15(16-9-12(2)23-21(25)17(16)10-22)13(3)19-14-6-4-5-7-18(14)24-20(11)19/h4-9,24H,1-3H3,(H,23,25)
InChIKeyIWMMXPVVOSKEFC-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.47
Rot. Bonds1

About 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168587133) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168587133
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C)c3[nH]c4ccccc4c3c2C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C21H17N3O/c1-11-8-15(16-9-12(2)23-21(25)17(16)10-22)13(3)19-14-6-4-5-7-18(14)24-20(11)19/h4-9,24H,1-3H3,(H,23,25)
InChIKeyIWMMXPVVOSKEFC-UHFFFAOYSA-N
XLogP4.47
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
3,4-dimethyl-9H-carbazole-1-carbonitrile
CID 101496372
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
4-(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168590118
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
6-methyl-2-oxo-4-pyridin-2-yl-1H-pyridine-3-carbonitrile
CID 82470815
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
6-methyl-4-[2-(5-methylfuran-2-yl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168587408
6-methyl-2-oxo-4-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168587133) is 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(C)c3[nH]c4ccccc4c3c2C)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IWMMXPVVOSKEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-11-8-15(16-9-12(2)23-21(25)17(16)10-22)13(3)19-14-6-4-5-7-18(14)24-20(11)19/h4-9,24H,1-3H3,(H,23,25).
What are the key properties of 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-9H-carbazol-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168587133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).