3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide

C14H23N5O — CID 136726402

IUPAC3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1CN(C)CCCN1c1cccnc1/C(N)=N/O
InChIInChI=1S/C14H23N5O/c1-3-11-10-18(2)8-5-9-19(11)12-6-4-7-16-13(12)14(15)17-20/h4,6-7,11,20H,3,5,8-10H2,1-2H3,(H2,15,17)
InChIKeyWUZWBRWVCWMYHX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.10
Rot. Bonds3

About 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide

3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136726402) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136726402
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESCCC1CN(C)CCCN1c1cccnc1/C(N)=N/O
InChIInChI=1S/C14H23N5O/c1-3-11-10-18(2)8-5-9-19(11)12-6-4-7-16-13(12)14(15)17-20/h4,6-7,11,20H,3,5,8-10H2,1-2H3,(H2,15,17)
InChIKeyWUZWBRWVCWMYHX-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

6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136726404
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)aniline
CID 114086199
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766539
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-2-carboximidamide
CID 136811783
2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
CID 114088533
3-(3-tert-butylpyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136914268
3-(2-propylpiperidin-1-yl)pyridine-2-carboximidamide
CID 83055621
3-(2,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 114086681
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-3-iodoaniline
CID 114086195
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883345
6-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-2-methylpyridin-3-amine
CID 114086197

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide (CID 136726402) is 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide is CCC1CN(C)CCCN1c1cccnc1/C(N)=N/O.
What is the InChIKey of 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is WUZWBRWVCWMYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-11-10-18(2)8-5-9-19(11)12-6-4-7-16-13(12)14(15)17-20/h4,6-7,11,20H,3,5,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide?
3-(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 3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136726402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).