1-methyl-4-pyridin-2-yl-1,4-diazepane

C11H17N3 — CID 11790022

IUPAC1-methyl-4-pyridin-2-yl-1,4-diazepane
SMILESCN1CCCN(c2ccccn2)CC1
InChIInChI=1S/C11H17N3/c1-13-7-4-8-14(10-9-13)11-5-2-3-6-12-11/h2-3,5-6H,4,7-10H2,1H3
InChIKeyNPRDUFDWZCXDEE-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.22
Rot. Bonds1

About 1-methyl-4-pyridin-2-yl-1,4-diazepane

1-methyl-4-pyridin-2-yl-1,4-diazepane (PubChem CID 11790022) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-methyl-4-pyridin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-pyridin-2-yl-1,4-diazepane
PubChem CID11790022
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-methyl-4-pyridin-2-yl-1,4-diazepane
SMILESCN1CCCN(c2ccccn2)CC1
InChIInChI=1S/C11H17N3/c1-13-7-4-8-14(10-9-13)11-5-2-3-6-12-11/h2-3,5-6H,4,7-10H2,1H3
InChIKeyNPRDUFDWZCXDEE-UHFFFAOYSA-N
XLogP1.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
1-methyl-4-pyrimidin-2-yl-1,4-diazepane;dihydrochloride
CID 122160375
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridin-2-yl-1,4-diazepane?
The IUPAC name of 1-methyl-4-pyridin-2-yl-1,4-diazepane (CID 11790022) is 1-methyl-4-pyridin-2-yl-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-pyridin-2-yl-1,4-diazepane?
The canonical SMILES for 1-methyl-4-pyridin-2-yl-1,4-diazepane is CN1CCCN(c2ccccn2)CC1.
What is the InChIKey of 1-methyl-4-pyridin-2-yl-1,4-diazepane?
The InChIKey is NPRDUFDWZCXDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13-7-4-8-14(10-9-13)11-5-2-3-6-12-11/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-methyl-4-pyridin-2-yl-1,4-diazepane?
1-methyl-4-pyridin-2-yl-1,4-diazepane has a molecular weight of 191.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-2-yl-1,4-diazepane is sourced from PubChem (CID 11790022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).