N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H21N5O2 — CID 16622213

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H21N5O2/c1-9-6-10(2)21-18(25)14(9)8-19-17(24)13-7-11(3)20-16-15(13)12(4)22-23(16)5/h6-7H,8H2,1-5H3,(H,19,24)(H,21,25)
InChIKeyKHODVGDUASUKPA-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.82
Rot. Bonds3

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16622213) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16622213
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H21N5O2/c1-9-6-10(2)21-18(25)14(9)8-19-17(24)13-7-11(3)20-16-15(13)12(4)22-23(16)5/h6-7H,8H2,1-5H3,(H,19,24)(H,21,25)
InChIKeyKHODVGDUASUKPA-UHFFFAOYSA-N
XLogP1.82
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
N-[[4-(dimethylamino)phenyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621872
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
2-[[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245066
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 71543548
1,3,6-trimethyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46456457
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 91954067
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38094875
N-(1,3-benzothiazol-2-ylmethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38285036
6-cyclopropyl-N-[(4-cyclopropyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 71543585
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 16622213) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is KHODVGDUASUKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-9-6-10(2)21-18(25)14(9)8-19-17(24)13-7-11(3)20-16-15(13)12(4)22-23(16)5/h6-7H,8H2,1-5H3,(H,19,24)(H,21,25).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16622213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).