N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide

C13H10N4O — CID 137095860

IUPACN'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(C#Cc2ccncc2)cn1
InChIInChI=1S/C13H10N4O/c14-13(17-18)12-4-3-11(9-16-12)2-1-10-5-7-15-8-6-10/h3-9,18H,(H2,14,17)
InChIKeyZFOFDNFCVNSBQK-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.97
Rot. Bonds1

About N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide

N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide (PubChem CID 137095860) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
PubChem CID137095860
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(C#Cc2ccncc2)cn1
InChIInChI=1S/C13H10N4O/c14-13(17-18)12-4-3-11(9-16-12)2-1-10-5-7-15-8-6-10/h3-9,18H,(H2,14,17)
InChIKeyZFOFDNFCVNSBQK-UHFFFAOYSA-N
XLogP0.97
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-[2-(6-carboxy-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 132516488
[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]boronic acid
CID 168994832
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
N'-hydroxy-5-phenylsulfanylpyridine-2-carboximidamide
CID 136990925
N'-hydroxy-5-propan-2-ylsulfanylpyridine-2-carboximidamide
CID 136990967
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
N'-hydroxy-2-pyrimidin-4-ylsulfanylpyrimidine-4-carboximidamide
CID 136678466
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
N'-hydroxy-4-(2-pyridin-2-ylethynyl)benzenecarboximidamide
CID 123501344
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
CID 136990975
N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
CID 136990781

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide (CID 137095860) is N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide is NC(=NO)c1ccc(C#Cc2ccncc2)cn1.
What is the InChIKey of N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide?
The InChIKey is ZFOFDNFCVNSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13(17-18)12-4-3-11(9-16-12)2-1-10-5-7-15-8-6-10/h3-9,18H,(H2,14,17).
What are the key properties of N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide?
N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide has a molecular weight of 238.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-pyridin-4-ylethynyl)pyridine-2-carboximidamide is sourced from PubChem (CID 137095860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).