N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide

C15H14FN7O3 — CID 135312992

IUPACN-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide
SMILESNC(=O)CNC(=O)c1ccc(F)c(COc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C15H14FN7O3/c16-9-2-1-7(15(25)19-5-12(18)24)3-8(9)6-26-10-4-11(17)20-14-13(10)21-23-22-14/h1-4H,5-6H2,(H2,18,24)(H,19,25)(H3,17,20,21,22,23)
InChIKeyCVHLCSUMTMHBBQ-UHFFFAOYSA-N
MW359.32 g/mol
LogP-0.13
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide

N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide (PubChem CID 135312992) has the molecular formula C15H14FN7O3 and a molecular weight of 359.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide
PubChem CID135312992
Molecular FormulaC15H14FN7O3
Molecular Weight359.32 g/mol
Exact Mass359.11
IUPAC NameN-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide
SMILESNC(=O)CNC(=O)c1ccc(F)c(COc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C15H14FN7O3/c16-9-2-1-7(15(25)19-5-12(18)24)3-8(9)6-26-10-4-11(17)20-14-13(10)21-23-22-14/h1-4H,5-6H2,(H2,18,24)(H,19,25)(H3,17,20,21,22,23)
InChIKeyCVHLCSUMTMHBBQ-UHFFFAOYSA-N
XLogP-0.13
TPSA161.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide with MolForge

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Related Compounds

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 126678981
[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 126678868
N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide
CID 126678910
3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 126678896
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
CID 126648880
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205
7-[[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethoxy)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678914
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
3-[(2-bromo-3-pyridinyl)oxymethyl]-4-fluorobenzamide
CID 65101965
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide (CID 135312992) is N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide is NC(=O)CNC(=O)c1ccc(F)c(COc2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide?
The InChIKey is CVHLCSUMTMHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O3/c16-9-2-1-7(15(25)19-5-12(18)24)3-8(9)6-26-10-4-11(17)20-14-13(10)21-23-22-14/h1-4H,5-6H2,(H2,18,24)(H,19,25)(H3,17,20,21,22,23).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide?
N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide has a molecular weight of 359.32 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorobenzamide is sourced from PubChem (CID 135312992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).