4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C23H20N4 — CID 2997614

IUPAC4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCn1c2ccccc2c2cc(C3C(C#N)=C(C)NC(C)=C3C#N)ccc21
InChIInChI=1S/C23H20N4/c1-4-27-21-8-6-5-7-17(21)18-11-16(9-10-22(18)27)23-19(12-24)14(2)26-15(3)20(23)13-25/h5-11,23,26H,4H2,1-3H3
InChIKeyNUBCXYPWGVRQCP-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.10
Rot. Bonds2

About 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 2997614) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID2997614
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCn1c2ccccc2c2cc(C3C(C#N)=C(C)NC(C)=C3C#N)ccc21
InChIInChI=1S/C23H20N4/c1-4-27-21-8-6-5-7-17(21)18-11-16(9-10-22(18)27)23-19(12-24)14(2)26-15(3)20(23)13-25/h5-11,23,26H,4H2,1-3H3
InChIKeyNUBCXYPWGVRQCP-UHFFFAOYSA-N
XLogP5.10
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 2997614) is 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CCn1c2ccccc2c2cc(C3C(C#N)=C(C)NC(C)=C3C#N)ccc21.
What is the InChIKey of 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is NUBCXYPWGVRQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-4-27-21-8-6-5-7-17(21)18-11-16(9-10-22(18)27)23-19(12-24)14(2)26-15(3)20(23)13-25/h5-11,23,26H,4H2,1-3H3.
What are the key properties of 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 352.44 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethylcarbazol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2997614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).