N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

C13H18N6O — CID 128876709

IUPACN-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1nnc2cc(C(=O)NC3CCNC3(C)C)cnc21
InChIInChI=1S/C13H18N6O/c1-13(2)10(4-5-15-13)16-12(20)8-6-9-11(14-7-8)19(3)18-17-9/h6-7,10,15H,4-5H2,1-3H3,(H,16,20)
InChIKeyNWRXPGZXSMNBKX-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.23
Rot. Bonds2

About N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 128876709) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
PubChem CID128876709
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCn1nnc2cc(C(=O)NC3CCNC3(C)C)cnc21
InChIInChI=1S/C13H18N6O/c1-13(2)10(4-5-15-13)16-12(20)8-6-9-11(14-7-8)19(3)18-17-9/h6-7,10,15H,4-5H2,1-3H3,(H,16,20)
InChIKeyNWRXPGZXSMNBKX-UHFFFAOYSA-N
XLogP0.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 70705407
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754
N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 138046565
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 86795418
3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
CID 154742725
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 99637181
N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013002
3-methyl-N-[(1R)-2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 99801014
3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 102563782
1-methyl-N-pyrrolidin-3-ylbenzotriazole-5-carboxamide
CID 119449625
3-methyl-N-[5-(2,3,3-trimethylbutyl)-1H-pyrazol-3-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 75505487

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (CID 128876709) is N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is Cn1nnc2cc(C(=O)NC3CCNC3(C)C)cnc21.
What is the InChIKey of N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is NWRXPGZXSMNBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-13(2)10(4-5-15-13)16-12(20)8-6-9-11(14-7-8)19(3)18-17-9/h6-7,10,15H,4-5H2,1-3H3,(H,16,20).
What are the key properties of N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 128876709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).