N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide

C14H13N5O2 — CID 107017979

IUPACN'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2cn3ccccc3n2)c1=O
InChIInChI=1S/C14H13N5O2/c15-13(17-21)11-4-3-7-19(14(11)20)9-10-8-18-6-2-1-5-12(18)16-10/h1-8,21H,9H2,(H2,15,17)
InChIKeyGVWQWIAUFWLMMB-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.64
Rot. Bonds3

About N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide

N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide (PubChem CID 107017979) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
PubChem CID107017979
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2cn3ccccc3n2)c1=O
InChIInChI=1S/C14H13N5O2/c15-13(17-21)11-4-3-7-19(14(11)20)9-10-8-18-6-2-1-5-12(18)16-10/h1-8,21H,9H2,(H2,15,17)
InChIKeyGVWQWIAUFWLMMB-UHFFFAOYSA-N
XLogP0.64
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 66404225
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 114189454
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)imidazol-2-yl]methanamine
CID 62221773
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 38846572
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
CID 55066990
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide (CID 107017979) is N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide is N/C(=N/O)c1cccn(Cc2cn3ccccc3n2)c1=O.
What is the InChIKey of N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide?
The InChIKey is GVWQWIAUFWLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-13(17-21)11-4-3-7-19(14(11)20)9-10-8-18-6-2-1-5-12(18)16-10/h1-8,21H,9H2,(H2,15,17).
What are the key properties of N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide has a molecular weight of 283.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107017979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).