N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H21N5O2 — CID 46446216

IUPACN-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCC(=O)NCc1ccccc1)c(C)nn2C
InChIInChI=1S/C19H21N5O2/c1-12-16(9-15-13(2)23-24(3)18(15)22-12)19(26)21-11-17(25)20-10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyMFNDKMUAUXZXQE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46446216) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46446216
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NCC(=O)NCc1ccccc1)c(C)nn2C
InChIInChI=1S/C19H21N5O2/c1-12-16(9-15-13(2)23-24(3)18(15)22-12)19(26)21-11-17(25)20-10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyMFNDKMUAUXZXQE-UHFFFAOYSA-N
XLogP1.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46446216) is N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NCC(=O)NCc1ccccc1)c(C)nn2C.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MFNDKMUAUXZXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-16(9-15-13(2)23-24(3)18(15)22-12)19(26)21-11-17(25)20-10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46446216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).