N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide

C9H11N5O — CID 170856227

IUPACN'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
SMILESN/C(CCc1nc2ncccc2[nH]1)=N/O
InChIInChI=1S/C9H11N5O/c10-7(14-15)3-4-8-12-6-2-1-5-11-9(6)13-8/h1-2,5,15H,3-4H2,(H2,10,14)(H,11,12,13)
InChIKeyCHMKYMHHTSFSOT-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.64
Rot. Bonds3

About N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide

N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide (PubChem CID 170856227) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
PubChem CID170856227
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
SMILESN/C(CCc1nc2ncccc2[nH]1)=N/O
InChIInChI=1S/C9H11N5O/c10-7(14-15)3-4-8-12-6-2-1-5-11-9(6)13-8/h1-2,5,15H,3-4H2,(H2,10,14)(H,11,12,13)
InChIKeyCHMKYMHHTSFSOT-UHFFFAOYSA-N
XLogP0.64
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide
CID 14319913
3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
CID 45357286
4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
CID 14855677
1H-imidazo[4,5-b]pyridine-2-carbothioamide
CID 86130577
2-(3,3-dibutylheptyl)-1H-imidazo[4,5-b]pyridine
CID 174495647
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
CID 64671633
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
CID 100736274
1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium
CID 86059470
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111479268
2-(2-piperidin-2-ylethyl)-1H-imidazo[4,5-b]pyridine
CID 62217550

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide (CID 170856227) is N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide is N/C(CCc1nc2ncccc2[nH]1)=N/O.
What is the InChIKey of N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide?
The InChIKey is CHMKYMHHTSFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-7(14-15)3-4-8-12-6-2-1-5-11-9(6)13-8/h1-2,5,15H,3-4H2,(H2,10,14)(H,11,12,13).
What are the key properties of N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide?
N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide has a molecular weight of 205.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanimidamide is sourced from PubChem (CID 170856227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).