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

C18H24N4 — CID 134804905

IUPAC4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCc1cc(-c2cc3c(cn2)CN(CC(C)C)CCN3)ccn1
InChIInChI=1S/C18H24N4/c1-13(2)11-22-7-6-20-18-9-17(21-10-16(18)12-22)15-4-5-19-14(3)8-15/h4-5,8-10,13,20H,6-7,11-12H2,1-3H3
InChIKeyXNUILZZBZSHFCK-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.34
Rot. Bonds3

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

4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (PubChem CID 134804905) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
PubChem CID134804905
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCc1cc(-c2cc3c(cn2)CN(CC(C)C)CCN3)ccn1
InChIInChI=1S/C18H24N4/c1-13(2)11-22-7-6-20-18-9-17(21-10-16(18)12-22)15-4-5-19-14(3)8-15/h4-5,8-10,13,20H,6-7,11-12H2,1-3H3
InChIKeyXNUILZZBZSHFCK-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The IUPAC name of 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (CID 134804905) is 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.
What is the SMILES notation for 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The canonical SMILES for 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is Cc1cc(-c2cc3c(cn2)CN(CC(C)C)CCN3)ccn1.
What is the InChIKey of 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The InChIKey is XNUILZZBZSHFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13(2)11-22-7-6-20-18-9-17(21-10-16(18)12-22)15-4-5-19-14(3)8-15/h4-5,8-10,13,20H,6-7,11-12H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine has a molecular weight of 296.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-8-(2-methyl-4-pyridinyl)-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is sourced from PubChem (CID 134804905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).