4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C15H16N6O — CID 57218772

IUPAC4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cnc2[nH]ncc2c1N
InChIInChI=1S/C15H16N6O/c1-2-21(9-10-3-5-17-6-4-10)15(22)12-7-18-14-11(13(12)16)8-19-20-14/h3-8H,2,9H2,1H3,(H3,16,18,19,20)
InChIKeyFTUAVDGXOUJTIA-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.60
Rot. Bonds4

About 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 57218772) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID57218772
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cnc2[nH]ncc2c1N
InChIInChI=1S/C15H16N6O/c1-2-21(9-10-3-5-17-6-4-10)15(22)12-7-18-14-11(13(12)16)8-19-20-14/h3-8H,2,9H2,1H3,(H3,16,18,19,20)
InChIKeyFTUAVDGXOUJTIA-UHFFFAOYSA-N
XLogP1.60
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-4-(thian-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90719884
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
4-amino-N-ethyl-5-propyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076293
5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 114922658
4-amino-5-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62079719
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
N-ethyl-4-(oxan-4-ylamino)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007295
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 55115723
N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 3286092

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 57218772) is 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CCN(Cc1ccncc1)C(=O)c1cnc2[nH]ncc2c1N.
What is the InChIKey of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is FTUAVDGXOUJTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-21(9-10-3-5-17-6-4-10)15(22)12-7-18-14-11(13(12)16)8-19-20-14/h3-8H,2,9H2,1H3,(H3,16,18,19,20).
What are the key properties of 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 57218772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).