N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C21H25N5O2 — CID 38045945

IUPACN-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C21H25N5O2/c1-6-26(7-2)21(28)15-9-8-10-16(12-15)23-20(27)17-11-13(3)22-19-18(17)14(4)24-25(19)5/h8-12H,6-7H2,1-5H3,(H,23,27)
InChIKeyWLHQPEBEBPAPQX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 38045945) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID38045945
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1
InChIInChI=1S/C21H25N5O2/c1-6-26(7-2)21(28)15-9-8-10-16(12-15)23-20(27)17-11-13(3)22-19-18(17)14(4)24-25(19)5/h8-12H,6-7H2,1-5H3,(H,23,27)
InChIKeyWLHQPEBEBPAPQX-UHFFFAOYSA-N
XLogP3.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-[2-(3-ethynylanilino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55836923
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
CID 16609341
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 38045945) is N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WLHQPEBEBPAPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-6-26(7-2)21(28)15-9-8-10-16(12-15)23-20(27)17-11-13(3)22-19-18(17)14(4)24-25(19)5/h8-12H,6-7H2,1-5H3,(H,23,27).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38045945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).