N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide

C17H17N5O2 — CID 86843550

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C17H17N5O2/c1-3-15(23)19-12-6-4-5-11(7-12)17(24)20-13-8-14-10(2)21-22-16(14)18-9-13/h4-9H,3H2,1-2H3,(H,19,23)(H,20,24)(H,18,21,22)
InChIKeyKPMGJBIPFVVSGO-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.87
Rot. Bonds4

About N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide (PubChem CID 86843550) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
PubChem CID86843550
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C17H17N5O2/c1-3-15(23)19-12-6-4-5-11(7-12)17(24)20-13-8-14-10(2)21-22-16(14)18-9-13/h4-9H,3H2,1-2H3,(H,19,23)(H,20,24)(H,18,21,22)
InChIKeyKPMGJBIPFVVSGO-UHFFFAOYSA-N
XLogP2.87
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
N-[4-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 86843430
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(3-acetylphenyl)propanamide
CID 903063
1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 86843439
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
N-(3-methyl-1,2-thiazol-5-yl)-3-(propanoylamino)benzamide
CID 71864121
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86843305
2,3-dichloro-N-[1-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-1-oxopropan-2-yl]benzamide
CID 86843524

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide (CID 86843550) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide?
The InChIKey is KPMGJBIPFVVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-15(23)19-12-6-4-5-11(7-12)17(24)20-13-8-14-10(2)21-22-16(14)18-9-13/h4-9H,3H2,1-2H3,(H,19,23)(H,20,24)(H,18,21,22).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 86843550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).