8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine

C19H24N4O — CID 134811125

IUPAC8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCc1cc(-c2cc3c(cn2)CN(CC2CCOC2)CCN3)ccn1
InChIInChI=1S/C19H24N4O/c1-14-8-16(2-4-20-14)18-9-19-17(10-22-18)12-23(6-5-21-19)11-15-3-7-24-13-15/h2,4,8-10,15,21H,3,5-7,11-13H2,1H3
InChIKeyZNRVYGVLHIEPCE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.72
Rot. Bonds3

About 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine

8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (PubChem CID 134811125) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.

Molecular Properties

Compound Name8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
PubChem CID134811125
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCc1cc(-c2cc3c(cn2)CN(CC2CCOC2)CCN3)ccn1
InChIInChI=1S/C19H24N4O/c1-14-8-16(2-4-20-14)18-9-19-17(10-22-18)12-23(6-5-21-19)11-15-3-7-24-13-15/h2,4,8-10,15,21H,3,5-7,11-13H2,1H3
InChIKeyZNRVYGVLHIEPCE-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The IUPAC name of 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (CID 134811125) is 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.
What is the SMILES notation for 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The canonical SMILES for 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is Cc1cc(-c2cc3c(cn2)CN(CC2CCOC2)CCN3)ccn1.
What is the InChIKey of 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The InChIKey is ZNRVYGVLHIEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-8-16(2-4-20-14)18-9-19-17(10-22-18)12-23(6-5-21-19)11-15-3-7-24-13-15/h2,4,8-10,15,21H,3,5-7,11-13H2,1H3.
What are the key properties of 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine has a molecular weight of 324.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-4-pyridinyl)-4-(oxolan-3-ylmethyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is sourced from PubChem (CID 134811125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).