2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine

C20H18N4 — CID 86022049

IUPAC2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccccn2)CC(c2ccccn2)=Nc2ccccc2N1
InChIInChI=1S/C20H18N4/c1-20(19-11-5-7-13-22-19)14-18(15-8-4-6-12-21-15)23-16-9-2-3-10-17(16)24-20/h2-13,24H,14H2,1H3
InChIKeyDHOYLTBTCLCTHD-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.33
Rot. Bonds2

About 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine

2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 86022049) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine
PubChem CID86022049
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccccn2)CC(c2ccccn2)=Nc2ccccc2N1
InChIInChI=1S/C20H18N4/c1-20(19-11-5-7-13-22-19)14-18(15-8-4-6-12-21-15)23-16-9-2-3-10-17(16)24-20/h2-13,24H,14H2,1H3
InChIKeyDHOYLTBTCLCTHD-UHFFFAOYSA-N
XLogP4.33
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine
CID 154700828
(2R)-2,4-bis(4-iodophenyl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 95241454
2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
CID 102146713
4,5,5-trimethyl-4-pyridin-2-ylpyrrolidin-2-one
CID 66106319
2-(2H-azirin-3-yl)pyridine
CID 123655147
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
2-(2-methylpiperidin-2-yl)pyridine
CID 83529728
3-methyl-3-pyridin-2-ylpyrrolidine-2,5-dione
CID 43155363
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11458601
2-pyridin-2-yl-3,5-dihydrophenazin-1-amine
CID 141318395
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine (CID 86022049) is 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine is CC1(c2ccccn2)CC(c2ccccn2)=Nc2ccccc2N1.
What is the InChIKey of 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is DHOYLTBTCLCTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-20(19-11-5-7-13-22-19)14-18(15-8-4-6-12-21-15)23-16-9-2-3-10-17(16)24-20/h2-13,24H,14H2,1H3.
What are the key properties of 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine?
2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 314.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-dipyridin-2-yl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 86022049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).