2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide

C26H25N5O5 — CID 42836221

IUPAC2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccc(C)cc3)c2=O)cc1OC
InChIInChI=1S/C26H25N5O5/c1-17-4-6-19(7-5-17)16-30-25(33)23(24(32)28-15-18-10-12-27-13-11-18)29-31(26(30)34)20-8-9-21(35-2)22(14-20)36-3/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKeyFJLVYNRFIRSTSI-UHFFFAOYSA-N
MW487.52 g/mol
LogP2.09
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide

2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide (PubChem CID 42836221) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide
PubChem CID42836221
Molecular FormulaC26H25N5O5
Molecular Weight487.52 g/mol
Exact Mass487.19
IUPAC Name2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccc(C)cc3)c2=O)cc1OC
InChIInChI=1S/C26H25N5O5/c1-17-4-6-19(7-5-17)16-30-25(33)23(24(32)28-15-18-10-12-27-13-11-18)29-31(26(30)34)20-8-9-21(35-2)22(14-20)36-3/h4-14H,15-16H2,1-3H3,(H,28,32)
InChIKeyFJLVYNRFIRSTSI-UHFFFAOYSA-N
XLogP2.09
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836234
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836231
N-benzyl-2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46005705
N,4-bis[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004746
2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836241
4-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46005675
N-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005383
2-(3,4-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 46004579
2-(3,5-dimethylphenyl)-N,4-bis[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836493
2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42835907
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42836250
4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46149916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide (CID 42836221) is 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide is COc1ccc(-n2nc(C(=O)NCc3ccncc3)c(=O)n(Cc3ccc(C)cc3)c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide?
The InChIKey is FJLVYNRFIRSTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5/c1-17-4-6-19(7-5-17)16-30-25(33)23(24(32)28-15-18-10-12-27-13-11-18)29-31(26(30)34)20-8-9-21(35-2)22(14-20)36-3/h4-14H,15-16H2,1-3H3,(H,28,32).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide?
2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-4-ylmethyl)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 42836221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).