1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide

C29H26N4O4 — CID 156560394

IUPAC1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(N)=O)c(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C29H26N4O4/c1-31-19-33(24(21-13-7-3-8-14-21)22-15-9-4-10-16-22)32-17-23(28(30)35)26(34)27(25(32)29(31)36)37-18-20-11-5-2-6-12-20/h2-17,24H,18-19H2,1H3,(H2,30,35)
InChIKeyUIMMFXFKKJEUNU-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.30
Rot. Bonds7

About 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide

1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide (PubChem CID 156560394) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound Name1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
PubChem CID156560394
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(N)=O)c(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C29H26N4O4/c1-31-19-33(24(21-13-7-3-8-14-21)22-15-9-4-10-16-22)32-17-23(28(30)35)26(34)27(25(32)29(31)36)37-18-20-11-5-2-6-12-20/h2-17,24H,18-19H2,1H3,(H2,30,35)
InChIKeyUIMMFXFKKJEUNU-UHFFFAOYSA-N
XLogP3.30
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzhydryl-7-bromo-3-methyl-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 70368390
(1-benzhydryl-3-methyl-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazin-5-yl)oxymethyl acetate
CID 172970042
1-benzhydryl-7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;1-benzhydryl-5-hydroxy-3-(2-methoxyethyl)-4,6-dioxo-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxylic acid;7-[3-(2,4-difluorophenyl)propanoyl]-3-(2-methoxyethyl)-5-phenylmethoxy-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione;methane
CID 157251256
N-[2-(1-benzhydryl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazin-3-yl)ethyl]benzamide
CID 70368497
methyl 5-carbamoyl-4-oxo-1-(2-oxopropyl)-3-phenylmethoxypyridine-2-carboxylate
CID 130400183
(4aS,11aS)-5-methyl-6,8-dioxo-7-phenylmethoxy-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxylic acid
CID 121422043
3-(2-aminoethyl)-1-benzhydryl-5-hydroxy-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione;tert-butyl N-[2-(1-benzhydryl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazin-3-yl)ethyl]carbamate
CID 161252007
(1S,10S)-10-methyl-5,8-dioxo-6-phenylmethoxy-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxylic acid
CID 163235159
(3R)-7-acetyl-3-benzhydryl-9-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,8-dione
CID 58067139
1-but-3-en-2-yl-N-[(2,4-difluorophenyl)methyl]-3-(2-methylbut-3-en-2-yl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 164590529
N-[[1-benzhydryl-3-(2-methoxyethyl)-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazin-8-yl]methyl]acetamide
CID 70368628
1,3-bis[(4-fluorophenyl)methyl]-N-methoxy-N-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide
CID 88612427

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
The IUPAC name of 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide (CID 156560394) is 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
The canonical SMILES for 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide is CN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(N)=O)c(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
The InChIKey is UIMMFXFKKJEUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-31-19-33(24(21-13-7-3-8-14-21)22-15-9-4-10-16-22)32-17-23(28(30)35)26(34)27(25(32)29(31)36)37-18-20-11-5-2-6-12-20/h2-17,24H,18-19H2,1H3,(H2,30,35).
What are the key properties of 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide?
1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-methyl-4,6-dioxo-5-phenylmethoxy-2H-pyrido[2,1-f][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 156560394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).