N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide

C22H24N6O4 — CID 146068458

IUPACN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3C)c(OC)n1
InChIInChI=1S/C22H24N6O4/c1-14-22(30)27(12-15-7-5-4-6-8-15)13-18-17(25-26-28(14)18)11-23-20(29)16-9-10-19(31-2)24-21(16)32-3/h4-10,14H,11-13H2,1-3H3,(H,23,29)
InChIKeyGWMWCFHDSBTPHK-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.72
Rot. Bonds7

About N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide

N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 146068458) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID146068458
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC NameN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3C)c(OC)n1
InChIInChI=1S/C22H24N6O4/c1-14-22(30)27(12-15-7-5-4-6-8-15)13-18-17(25-26-28(14)18)11-23-20(29)16-9-10-19(31-2)24-21(16)32-3/h4-10,14H,11-13H2,1-3H3,(H,23,29)
InChIKeyGWMWCFHDSBTPHK-UHFFFAOYSA-N
XLogP1.72
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068380
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068482
1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 146068432
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide
CID 146068429
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide
CID 146068464
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-4-ethylbenzenesulfonamide
CID 146068437
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
CID 146068490
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
CID 146068410
2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
CID 146068217
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
CID 146068406
N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 139004492

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide (CID 146068458) is N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3C)c(OC)n1.
What is the InChIKey of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is GWMWCFHDSBTPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-14-22(30)27(12-15-7-5-4-6-8-15)13-18-17(25-26-28(14)18)11-23-20(29)16-9-10-19(31-2)24-21(16)32-3/h4-10,14H,11-13H2,1-3H3,(H,23,29).
What are the key properties of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 146068458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).