2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide

C11H16N4O — CID 62973407

IUPAC2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCOCC2)c1
InChIInChI=1S/C11H16N4O/c12-11(13)9-2-3-14-10(8-9)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7H2,(H3,12,13)
InChIKeyCGSVGBTXQWKKMP-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.59
Rot. Bonds2

About 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide

2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide (PubChem CID 62973407) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
PubChem CID62973407
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCOCC2)c1
InChIInChI=1S/C11H16N4O/c12-11(13)9-2-3-14-10(8-9)15-4-1-6-16-7-5-15/h2-3,8H,1,4-7H2,(H3,12,13)
InChIKeyCGSVGBTXQWKKMP-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

6-Morpholinonicotinonitrile
CID 2737021
2-(Morpholin-4-yl)pyridine-3-carbonitrile
CID 2763852
1-(2-Methoxyethyl)-3-(3-methylpyridin-2-yl)thiourea
CID 2239331
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
2-Morpholinopyridine
CID 10964853
N-(2-methoxyethyl)-3-(4-methyl-1,4-diazepan-1-yl)-5-(pyridin-4-yl)pyrazin-2-amine
CID 46230027
(2-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16790303
5-(Morpholin-4-ylmethyl)pyridin-2-amine
CID 57867515
N-[2-(4-morpholinyl)ethyl]-5-(trifluoromethyl)-2-pyridinamine
CID 2990720
1-(2-(2-(Benzyl(methyl)amino)ethoxy)ethyl)-3-(pyridin-2-yl)thiourea
CID 46889788
2-(2-Hydroxyethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
CID 118730507
N'-(2-morpholin-4-ylethyl)pyridine-4-carboximidamide
CID 71568914

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide?
The IUPAC name of 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide (CID 62973407) is 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCCOCC2)c1.
What is the InChIKey of 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide?
The InChIKey is CGSVGBTXQWKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(13)9-2-3-14-10(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 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide?
2-(1,4-oxazepan-4-yl)pyridine-4-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 2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 62973407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).