N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide

C21H25N5O2 — CID 24617794

IUPACN-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1
InChIInChI=1S/C21H25N5O2/c1-12-17(13(2)23-20-19(12)14(3)25-26(20)5)10-11-18(27)24-16-8-6-15(7-9-16)21(28)22-4/h6-9H,10-11H2,1-5H3,(H,22,28)(H,24,27)
InChIKeyBGONDSPWDRFWCN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide

N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide (PubChem CID 24617794) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
PubChem CID24617794
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1
InChIInChI=1S/C21H25N5O2/c1-12-17(13(2)23-20-19(12)14(3)25-26(20)5)10-11-18(27)24-16-8-6-15(7-9-16)21(28)22-4/h6-9H,10-11H2,1-5H3,(H,22,28)(H,24,27)
InChIKeyBGONDSPWDRFWCN-UHFFFAOYSA-N
XLogP2.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24624544
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-phenylpropanamide
CID 38017763
N-[4-(ethylsulfonylamino)phenyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55960855
N-(2-methylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615757
N-(4-chlorophenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602910
N-(3-phenylpropyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 6625439
4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
CID 17437803
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
N-cyclooctyl-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615758
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604257
N-[2-(3-chlorophenyl)ethyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24665768

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide?
The IUPAC name of N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide (CID 24617794) is N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide is CNC(=O)c1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)cc1.
What is the InChIKey of N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide?
The InChIKey is BGONDSPWDRFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-17(13(2)23-20-19(12)14(3)25-26(20)5)10-11-18(27)24-16-8-6-15(7-9-16)21(28)22-4/h6-9H,10-11H2,1-5H3,(H,22,28)(H,24,27).
What are the key properties of N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide?
N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide has a molecular weight of 379.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 24617794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).