5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide

C13H20N4O2 — CID 136865121

IUPAC5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N(CCCO)C2CCC2)cn1
InChIInChI=1S/C13H20N4O2/c14-13(16-19)12-6-5-11(9-15-12)17(7-2-8-18)10-3-1-4-10/h5-6,9-10,18-19H,1-4,7-8H2,(H2,14,16)
InChIKeyHFFNFWUMUGTOLH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.92
Rot. Bonds6

About 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide

5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136865121) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136865121
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N(CCCO)C2CCC2)cn1
InChIInChI=1S/C13H20N4O2/c14-13(16-19)12-6-5-11(9-15-12)17(7-2-8-18)10-3-1-4-10/h5-6,9-10,18-19H,1-4,7-8H2,(H2,14,16)
InChIKeyHFFNFWUMUGTOLH-UHFFFAOYSA-N
XLogP0.92
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.92
H-Bond Donors ≤ 53
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

4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 102862865
5-[cyclopropyl(3-methylbutyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990584
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271
5-[cyclopentyl(2-hydroxyethyl)amino]pyridine-2-carboximidamide
CID 113321216
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
1-[5-[cyclohexyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanone
CID 83119849
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
4-[cyclobutyl(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
5-[(4,4-dimethylcyclohexyl)-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990709
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide (CID 136865121) is 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ccc(N(CCCO)C2CCC2)cn1.
What is the InChIKey of 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is HFFNFWUMUGTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-13(16-19)12-6-5-11(9-15-12)17(7-2-8-18)10-3-1-4-10/h5-6,9-10,18-19H,1-4,7-8H2,(H2,14,16).
What are the key properties of 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide?
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136865121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).