4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane

C19H25N3 — CID 133483690

IUPAC4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane
SMILESCc1cccc(N2CCC(C)N(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N3/c1-16-7-6-10-19(20-16)21-12-11-17(2)22(14-13-21)15-18-8-4-3-5-9-18/h3-10,17H,11-15H2,1-2H3
InChIKeyBPEANJZGHUGXNH-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.49
Rot. Bonds3

About 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane

4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane (PubChem CID 133483690) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane
PubChem CID133483690
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane
SMILESCc1cccc(N2CCC(C)N(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N3/c1-16-7-6-10-19(20-16)21-12-11-17(2)22(14-13-21)15-18-8-4-3-5-9-18/h3-10,17H,11-15H2,1-2H3
InChIKeyBPEANJZGHUGXNH-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-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 133491985
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
CID 166257245
4-benzyl-5-methyl-1-(3-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 133332394
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine
CID 130834693
6-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133491986
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133491984
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane?
The IUPAC name of 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane (CID 133483690) is 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane?
The canonical SMILES for 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane is Cc1cccc(N2CCC(C)N(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane?
The InChIKey is BPEANJZGHUGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-16-7-6-10-19(20-16)21-12-11-17(2)22(14-13-21)15-18-8-4-3-5-9-18/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane?
4-benzyl-5-methyl-1-(6-methyl-2-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-(6-methyl-2-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 133483690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).