4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile

C20H16N2 — CID 170284634

IUPAC4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
SMILESCc1cnc(-c2ccc(C#N)c(-c3ccccc3)c2)cc1C
InChIInChI=1S/C20H16N2/c1-14-10-20(22-13-15(14)2)17-8-9-18(12-21)19(11-17)16-6-4-3-5-7-16/h3-11,13H,1-2H3
InChIKeyICFMMLOVMDBSKY-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.90
Rot. Bonds2

About 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile

4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile (PubChem CID 170284634) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile.

Molecular Properties

Compound Name4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
PubChem CID170284634
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
SMILESCc1cnc(-c2ccc(C#N)c(-c3ccccc3)c2)cc1C
InChIInChI=1S/C20H16N2/c1-14-10-20(22-13-15(14)2)17-8-9-18(12-21)19(11-17)16-6-4-3-5-7-16/h3-11,13H,1-2H3
InChIKeyICFMMLOVMDBSKY-UHFFFAOYSA-N
XLogP4.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
The IUPAC name of 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile (CID 170284634) is 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile.
What is the SMILES notation for 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
The canonical SMILES for 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile is Cc1cnc(-c2ccc(C#N)c(-c3ccccc3)c2)cc1C.
What is the InChIKey of 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
The InChIKey is ICFMMLOVMDBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-10-20(22-13-15(14)2)17-8-9-18(12-21)19(11-17)16-6-4-3-5-7-16/h3-11,13H,1-2H3.
What are the key properties of 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile?
4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile has a molecular weight of 284.36 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile is sourced from PubChem (CID 170284634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).