N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

C18H22N6O4 — CID 138046565

IUPACN-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCC1C(NC(=O)c2cnc3c(c2)nnn3C)CCCN1C(=O)C1=COCCO1
InChIInChI=1S/C18H22N6O4/c1-11-13(4-3-5-24(11)18(26)15-10-27-6-7-28-15)20-17(25)12-8-14-16(19-9-12)23(2)22-21-14/h8-11,13H,3-7H2,1-2H3,(H,20,25)
InChIKeySUWHGKHPUNNDAH-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.36
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 138046565) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
PubChem CID138046565
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCC1C(NC(=O)c2cnc3c(c2)nnn3C)CCCN1C(=O)C1=COCCO1
InChIInChI=1S/C18H22N6O4/c1-11-13(4-3-5-24(11)18(26)15-10-27-6-7-28-15)20-17(25)12-8-14-16(19-9-12)23(2)22-21-14/h8-11,13H,3-7H2,1-2H3,(H,20,25)
InChIKeySUWHGKHPUNNDAH-UHFFFAOYSA-N
XLogP0.36
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,2-dimethylpyrrolidin-3-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 128876709
3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]triazolo[4,5-b]pyridine-6-carboxamide
CID 124616754
3-methyl-N-[(1R,3S)-3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 70705407
tert-butyl (2R,3S)-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 99787872
(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70739574
N-(2-aminocyclopentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63251606
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
N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 86795418
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583385
(2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methyltriazolo[4,5-b]pyridin-6-yl)methanone
CID 75477485

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (CID 138046565) is N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is CC1C(NC(=O)c2cnc3c(c2)nnn3C)CCCN1C(=O)C1=COCCO1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is SUWHGKHPUNNDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-11-13(4-3-5-24(11)18(26)15-10-27-6-7-28-15)20-17(25)12-8-14-16(19-9-12)23(2)22-21-14/h8-11,13H,3-7H2,1-2H3,(H,20,25).
What are the key properties of N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-2-methylpiperidin-3-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 138046565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).