6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide

C14H13N5O2 — CID 138386065

IUPAC6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2[nH]nc3ncccc23)c(=O)[nH]1
InChIInChI=1S/C14H13N5O2/c1-8-4-5-10(14(21)17-8)13(20)16-7-11-9-3-2-6-15-12(9)19-18-11/h2-6H,7H2,1H3,(H,16,20)(H,17,21)(H,15,18,19)
InChIKeyMVSDZTUWEBNFBY-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.88
Rot. Bonds3

About 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide

6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 138386065) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID138386065
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2[nH]nc3ncccc23)c(=O)[nH]1
InChIInChI=1S/C14H13N5O2/c1-8-4-5-10(14(21)17-8)13(20)16-7-11-9-3-2-6-15-12(9)19-18-11/h2-6H,7H2,1H3,(H,16,20)(H,17,21)(H,15,18,19)
InChIKeyMVSDZTUWEBNFBY-UHFFFAOYSA-N
XLogP0.88
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide (CID 138386065) is 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2[nH]nc3ncccc23)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MVSDZTUWEBNFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-4-5-10(14(21)17-8)13(20)16-7-11-9-3-2-6-15-12(9)19-18-11/h2-6H,7H2,1H3,(H,16,20)(H,17,21)(H,15,18,19).
What are the key properties of 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide?
6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138386065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).