6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide

C11H16N4O — CID 62973406

IUPAC6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCOCC2)nc1
InChIInChI=1S/C11H16N4O/c12-11(13)9-2-3-10(14-8-9)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7H2,(H3,12,13)
InChIKeyZMGPQNRAGJMVNE-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.59
Rot. Bonds2

About 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide

6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide (PubChem CID 62973406) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide
PubChem CID62973406
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCOCC2)nc1
InChIInChI=1S/C11H16N4O/c12-11(13)9-2-3-10(14-8-9)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7H2,(H3,12,13)
InChIKeyZMGPQNRAGJMVNE-UHFFFAOYSA-N
XLogP0.59
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
6-(2-methyl-1,4-oxazepan-4-yl)pyridine-3-carboximidamide
CID 62972140
6-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboximidamide
CID 55166419
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 63170283
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 63160900
6-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24689535
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
6-(4-benzylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24704018
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
2-pyrrolidin-1-ylpyrimidine-5-carboximidamide
CID 83877819

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide?
The IUPAC name of 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide (CID 62973406) is 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N2CCCOCC2)nc1.
What is the InChIKey of 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide?
The InChIKey is ZMGPQNRAGJMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(13)9-2-3-10(14-8-9)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7H2,(H3,12,13).
What are the key properties of 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide?
6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide has a molecular weight of 220.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-oxazepan-4-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 62973406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).