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

C21H22N6O4 — CID 146068482

IUPACN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3)c(OC)n1
InChIInChI=1S/C21H22N6O4/c1-30-18-9-8-15(21(23-18)31-2)20(29)22-10-16-17-12-26(11-14-6-4-3-5-7-14)19(28)13-27(17)25-24-16/h3-9H,10-13H2,1-2H3,(H,22,29)
InChIKeySFTJIOFUJLKAJU-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.16
Rot. Bonds7

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

N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 146068482) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID146068482
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3)c(OC)n1
InChIInChI=1S/C21H22N6O4/c1-30-18-9-8-15(21(23-18)31-2)20(29)22-10-16-17-12-26(11-14-6-4-3-5-7-14)19(28)13-27(17)25-24-16/h3-9H,10-13H2,1-2H3,(H,22,29)
InChIKeySFTJIOFUJLKAJU-UHFFFAOYSA-N
XLogP1.16
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068458
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
CID 146068490
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
CID 146068410
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
CID 146068406
N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068380
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 146068432
N-[(2,6-dimethoxy-3-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 139004492
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
5-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxo-7,8-dihydro-4H-triazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 134810870
1-benzyl-8-(2,6-dimethoxypyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 42472580
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide (CID 146068482) is N-[(5-benzyl-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-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-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)C3)c(OC)n1.
What is the InChIKey of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is SFTJIOFUJLKAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-30-18-9-8-15(21(23-18)31-2)20(29)22-10-16-17-12-26(11-14-6-4-3-5-7-14)19(28)13-27(17)25-24-16/h3-9H,10-13H2,1-2H3,(H,22,29).
What are the key properties of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 146068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).