4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane

C19H25N3 — CID 133491985

IUPAC4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
SMILESCc1cc(N2CCC(C)N(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C19H25N3/c1-16-14-19(8-10-20-16)21-11-9-17(2)22(13-12-21)15-18-6-4-3-5-7-18/h3-8,10,14,17H,9,11-13,15H2,1-2H3
InChIKeyAJSOYPVUPKOBLD-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.49
Rot. Bonds3

About 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane

4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane (PubChem CID 133491985) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
PubChem CID133491985
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
SMILESCc1cc(N2CCC(C)N(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C19H25N3/c1-16-14-19(8-10-20-16)21-11-9-17(2)22(13-12-21)15-18-6-4-3-5-7-18/h3-8,10,14,17H,9,11-13,15H2,1-2H3
InChIKeyAJSOYPVUPKOBLD-UHFFFAOYSA-N
XLogP3.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 133483690
2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133464611
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine
CID 130834693
4-benzyl-5-methyl-1-(3-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 133332394
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133491984

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane?
The IUPAC name of 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane (CID 133491985) is 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane?
The canonical SMILES for 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane is Cc1cc(N2CCC(C)N(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane?
The InChIKey is AJSOYPVUPKOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-16-14-19(8-10-20-16)21-11-9-17(2)22(13-12-21)15-18-6-4-3-5-7-18/h3-8,10,14,17H,9,11-13,15H2,1-2H3.
What are the key properties of 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane?
4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane has a molecular weight of 295.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 133491985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).