3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide

C16H13N5O — CID 31520219

IUPAC3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cccc(C#N)c3)cc12
InChIInChI=1S/C16H13N5O/c1-10-14-7-13(9-18-15(14)21(2)20-10)19-16(22)12-5-3-4-11(6-12)8-17/h3-7,9H,1-2H3,(H,19,22)
InChIKeyPOFSXMVKAQXNTB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.40
Rot. Bonds2

About 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide

3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 31520219) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID31520219
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cccc(C#N)c3)cc12
InChIInChI=1S/C16H13N5O/c1-10-14-7-13(9-18-15(14)21(2)20-10)19-16(22)12-5-3-4-11(6-12)8-17/h3-7,9H,1-2H3,(H,19,22)
InChIKeyPOFSXMVKAQXNTB-UHFFFAOYSA-N
XLogP2.40
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 31520473
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46585508
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methyl-3,5-dinitrobenzamide
CID 86917126
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 134024993
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24626387

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 31520219) is 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide is Cc1nn(C)c2ncc(NC(=O)c3cccc(C#N)c3)cc12.
What is the InChIKey of 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is POFSXMVKAQXNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-10-14-7-13(9-18-15(14)21(2)20-10)19-16(22)12-5-3-4-11(6-12)8-17/h3-7,9H,1-2H3,(H,19,22).
What are the key properties of 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 291.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 31520219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).