N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide

C16H17N4O+ — CID 123439510

IUPACN-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3[nH][n+](C)c(C)c3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-15-8-13(9-17-16(15)19-20(10)3)12-5-4-6-14(7-12)18-11(2)21/h4-9H,1-3H3,(H,18,21)/p+1
InChIKeyNCFRFZVSBHYQDI-UHFFFAOYSA-O
MW281.34 g/mol
LogP2.32
Rot. Bonds2

About N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide

N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide (PubChem CID 123439510) has the molecular formula C16H17N4O+ and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide
PubChem CID123439510
Molecular FormulaC16H17N4O+
Molecular Weight281.34 g/mol
Exact Mass281.14
IUPAC NameN-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3[nH][n+](C)c(C)c3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-15-8-13(9-17-16(15)19-20(10)3)12-5-4-6-14(7-12)18-11(2)21/h4-9H,1-3H3,(H,18,21)/p+1
InChIKeyNCFRFZVSBHYQDI-UHFFFAOYSA-O
XLogP2.32
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-[(2-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;methane
CID 162248609
N-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 135258327
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 144735542
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
N-[3-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 11952605
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide
CID 123870787
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide (CID 123439510) is N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3[nH][n+](C)c(C)c3c2)c1.
What is the InChIKey of N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide?
The InChIKey is NCFRFZVSBHYQDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N4O/c1-10-15-8-13(9-17-16(15)19-20(10)3)12-5-4-6-14(7-12)18-11(2)21/h4-9H,1-3H3,(H,18,21)/p+1.
What are the key properties of N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide?
N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide has a molecular weight of 281.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide is sourced from PubChem (CID 123439510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).