N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide

C21H18N6O2 — CID 155223695

IUPACN',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide
SMILESCN(C)C(=O)C(=O)Nc1ccc(-c2cncc(-c3ccnc4[nH]ncc34)c2)cc1
InChIInChI=1S/C21H18N6O2/c1-27(2)21(29)20(28)25-16-5-3-13(4-6-16)14-9-15(11-22-10-14)17-7-8-23-19-18(17)12-24-26-19/h3-12H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyKTFRUTCWYACULE-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.71
Rot. Bonds3

About N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide

N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide (PubChem CID 155223695) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide
PubChem CID155223695
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide
SMILESCN(C)C(=O)C(=O)Nc1ccc(-c2cncc(-c3ccnc4[nH]ncc34)c2)cc1
InChIInChI=1S/C21H18N6O2/c1-27(2)21(29)20(28)25-16-5-3-13(4-6-16)14-9-15(11-22-10-14)17-7-8-23-19-18(17)12-24-26-19/h3-12H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyKTFRUTCWYACULE-UHFFFAOYSA-N
XLogP2.71
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-amino-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]-N,N-dimethylpyridine-3-carboxamide
CID 142612752
4-(6-propan-2-yl-3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine
CID 158268219
2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile;formic acid
CID 69173933
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 149271340
3-fluoro-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 169422213
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 168930532
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
CID 46988638
N'-(2-hydroxyethyl)-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108526719
N-(1-methylindazol-3-yl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazol-1-yl]acetamide
CID 46989684
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
8,8-difluoro-3-[2-oxo-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118366425

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide?
The IUPAC name of N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide (CID 155223695) is N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide.
What is the SMILES notation for N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide?
The canonical SMILES for N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide is CN(C)C(=O)C(=O)Nc1ccc(-c2cncc(-c3ccnc4[nH]ncc34)c2)cc1.
What is the InChIKey of N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide?
The InChIKey is KTFRUTCWYACULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-27(2)21(29)20(28)25-16-5-3-13(4-6-16)14-9-15(11-22-10-14)17-7-8-23-19-18(17)12-24-26-19/h3-12H,1-2H3,(H,25,28)(H,23,24,26).
What are the key properties of N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide?
N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide has a molecular weight of 386.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-[5-(1H-pyrazolo[3,4-b]pyridin-4-yl)-3-pyridinyl]phenyl]oxamide is sourced from PubChem (CID 155223695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).