N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C14H12N4O — CID 158760114

IUPACN-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc2[nH]ncc2c1
InChIInChI=1S/C14H12N4O/c1-9-4-2-3-5-12(9)17-14(19)11-6-10-8-16-18-13(10)15-7-11/h2-8H,1H3,(H,17,19)(H,15,16,18)
InChIKeyTURFUMCRQJNHTO-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.52
Rot. Bonds2

About N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 158760114) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID158760114
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc2[nH]ncc2c1
InChIInChI=1S/C14H12N4O/c1-9-4-2-3-5-12(9)17-14(19)11-6-10-8-16-18-13(10)15-7-11/h2-8H,1H3,(H,17,19)(H,15,16,18)
InChIKeyTURFUMCRQJNHTO-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991
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CID 2599141
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
2-amino-6-methyl-N-(2-methylphenyl)pyridine-4-carboxamide
CID 113378981
2-benzamido-N-(2-methylphenyl)-1,3-selenazole-5-carboxamide
CID 86344873
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 158760114) is N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccccc1NC(=O)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is TURFUMCRQJNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-4-2-3-5-12(9)17-14(19)11-6-10-8-16-18-13(10)15-7-11/h2-8H,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 158760114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).