6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide

C14H23N5O — CID 136726404

IUPAC6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1CN(C)CCCN1c1cccc(/C(N)=N/O)n1
InChIInChI=1S/C14H23N5O/c1-3-11-10-18(2)8-5-9-19(11)13-7-4-6-12(16-13)14(15)17-20/h4,6-7,11,20H,3,5,8-10H2,1-2H3,(H2,15,17)
InChIKeyDSYWFWMBVQENBZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.10
Rot. Bonds3

About 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide

6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136726404) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136726404
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1CN(C)CCCN1c1cccc(/C(N)=N/O)n1
InChIInChI=1S/C14H23N5O/c1-3-11-10-18(2)8-5-9-19(11)13-7-4-6-12(16-13)14(15)17-20/h4,6-7,11,20H,3,5,8-10H2,1-2H3,(H2,15,17)
InChIKeyDSYWFWMBVQENBZ-UHFFFAOYSA-N
XLogP1.10
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136726402
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-2-methylpyridin-3-amine
CID 114086197
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
CID 114088533
N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
CID 136868237
4-chloro-6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 114087642
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)aniline
CID 114086199
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136726380
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
CID 136906366
3-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxypyridazine-4-carboximidamide
CID 136726374
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-3-iodoaniline
CID 114086195

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136726404) is 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide is CCC1CN(C)CCCN1c1cccc(/C(N)=N/O)n1.
What is the InChIKey of 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DSYWFWMBVQENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-11-10-18(2)8-5-9-19(11)13-7-4-6-12(16-13)14(15)17-20/h4,6-7,11,20H,3,5,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136726404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).