N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H24N4O3 — CID 35347591

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C20H24N4O3/c1-13-12-17(18-14(2)22-24(4)19(18)21-13)20(25)23(3)10-11-27-16-8-6-15(26-5)7-9-16/h6-9,12H,10-11H2,1-5H3
InChIKeyMAPASQDNDFJFII-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 35347591) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID35347591
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1
InChIInChI=1S/C20H24N4O3/c1-13-12-17(18-14(2)22-24(4)19(18)21-13)20(25)23(3)10-11-27-16-8-6-15(26-5)7-9-16/h6-9,12H,10-11H2,1-5H3
InChIKeyMAPASQDNDFJFII-UHFFFAOYSA-N
XLogP2.74
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1,3-trimethyl-N-(2-phenoxyethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55522947
N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86954768
2-[2-methoxyethyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119189354
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
1,3,6-trimethyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35337685
N-[2-(4-methoxyphenoxy)ethyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46442920
6-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 31336264
N-[2-(2-ethylanilino)-2-oxoethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51335183
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
N-[1-(4-chlorophenyl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 134004012
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
N-[2-(4-bromophenoxy)ethyl]-7-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 24546263

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 35347591) is N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccc(OCCN(C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is MAPASQDNDFJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-12-17(18-14(2)22-24(4)19(18)21-13)20(25)23(3)10-11-27-16-8-6-15(26-5)7-9-16/h6-9,12H,10-11H2,1-5H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35347591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).