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

C16H16ClN7O3 — CID 126678910

IUPACN-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccc(Cl)c(COc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C16H16ClN7O3/c1-24(6-13(19)25)16(26)8-2-3-10(17)9(4-8)7-27-11-5-12(18)20-15-14(11)21-23-22-15/h2-5H,6-7H2,1H3,(H2,19,25)(H3,18,20,21,22,23)
InChIKeyGYWDAGIRXANHQY-UHFFFAOYSA-N
MW389.80 g/mol
LogP0.72
Rot. Bonds6

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

N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide (PubChem CID 126678910) has the molecular formula C16H16ClN7O3 and a molecular weight of 389.80 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide
PubChem CID126678910
Molecular FormulaC16H16ClN7O3
Molecular Weight389.80 g/mol
Exact Mass389.10
IUPAC NameN-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccc(Cl)c(COc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C16H16ClN7O3/c1-24(6-13(19)25)16(26)8-2-3-10(17)9(4-8)7-27-11-5-12(18)20-15-14(11)21-23-22-15/h2-5H,6-7H2,1H3,(H2,19,25)(H3,18,20,21,22,23)
InChIKeyGYWDAGIRXANHQY-UHFFFAOYSA-N
XLogP0.72
TPSA153.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 126678896
[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 126678868
2-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-N,N-dimethylbenzenesulfonamide
CID 126648871
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
6-amino-N-(2-amino-2-oxoethyl)-5-[(2,6-dichlorophenyl)methoxy]-N-methylpyridine-3-carboxamide
CID 58885815
7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 159251011
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648893
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
N-(2-amino-2-oxoethyl)-4-(3-aminoprop-1-ynyl)-3-chloro-N-methylbenzamide
CID 81295463
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582

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-chloro-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide (CID 126678910) is N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide is CN(CC(N)=O)C(=O)c1ccc(Cl)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-chloro-N-methylbenzamide?
The InChIKey is GYWDAGIRXANHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O3/c1-24(6-13(19)25)16(26)8-2-3-10(17)9(4-8)7-27-11-5-12(18)20-15-14(11)21-23-22-15/h2-5H,6-7H2,1H3,(H2,19,25)(H3,18,20,21,22,23).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide?
N-(2-amino-2-oxoethyl)-3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-chloro-N-methylbenzamide has a molecular weight of 389.80 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 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-chloro-N-methylbenzamide is sourced from PubChem (CID 126678910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).