2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide

C17H18FN5O2 — CID 16675996

IUPAC2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESCN1C(=O)N(CC(=O)NCc2cccc(F)c2)c2cccnc2N1C
InChIInChI=1S/C17H18FN5O2/c1-21-16-14(7-4-8-19-16)23(17(25)22(21)2)11-15(24)20-10-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H,20,24)
InChIKeyFPQHIANZKWILOV-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.76
Rot. Bonds4

About 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide

2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 16675996) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID16675996
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
SMILESCN1C(=O)N(CC(=O)NCc2cccc(F)c2)c2cccnc2N1C
InChIInChI=1S/C17H18FN5O2/c1-21-16-14(7-4-8-19-16)23(17(25)22(21)2)11-15(24)20-10-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H,20,24)
InChIKeyFPQHIANZKWILOV-UHFFFAOYSA-N
XLogP1.76
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 55576879
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CID 51093862
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 22577615
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328410
N-[(3-fluorophenyl)methyl]-1-methyl-6-oxo-5-pyridin-2-ylpyridine-3-carboxamide
CID 160904999

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide (CID 16675996) is 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide is CN1C(=O)N(CC(=O)NCc2cccc(F)c2)c2cccnc2N1C.
What is the InChIKey of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is FPQHIANZKWILOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-21-16-14(7-4-8-19-16)23(17(25)22(21)2)11-15(24)20-10-12-5-3-6-13(18)9-12/h3-9H,10-11H2,1-2H3,(H,20,24).
What are the key properties of 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide?
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 343.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 16675996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).