N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide

C18H21N5O2 — CID 118103817

IUPACN-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
SMILESCCN(C)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OC)c1
InChIInChI=1S/C18H21N5O2/c1-5-22(3)17(24)13-7-8-14(15(10-13)25-4)19-18-20-16-9-6-12(2)11-23(16)21-18/h6-11H,5H2,1-4H3,(H,19,21)
InChIKeyQPMMWSXAYCUTIU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide

N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide (PubChem CID 118103817) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
PubChem CID118103817
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
SMILESCCN(C)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OC)c1
InChIInChI=1S/C18H21N5O2/c1-5-22(3)17(24)13-7-8-14(15(10-13)25-4)19-18-20-16-9-6-12(2)11-23(16)21-18/h6-11H,5H2,1-4H3,(H,19,21)
InChIKeyQPMMWSXAYCUTIU-UHFFFAOYSA-N
XLogP2.88
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 118103816
4-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N,N-dimethylbenzamide
CID 158233125
N-[2-[acetyl(methyl)amino]ethyl]-4-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 159253885
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90034274
ethyl 3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-oxopropanoate
CID 110474210
tert-butyl 2-[4-[2-[2-methoxy-4-(2,2,2-trifluoroethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetate
CID 146949020
N-tert-butyl-3-methoxy-4-[[6-[4-(3,3,3-trifluoropropanoylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 67216044
4-[2-(4-amino-2-ethoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-(cyclopropylmethyl)benzamide
CID 89157461
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 70980322
3-methyl-N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 110472022
3-methoxy-N-(2-methylsulfonylethyl)-4-[[6-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 67216922
4-[[6-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 66574816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The IUPAC name of N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide (CID 118103817) is N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The canonical SMILES for N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide is CCN(C)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The InChIKey is QPMMWSXAYCUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-5-22(3)17(24)13-7-8-14(15(10-13)25-4)19-18-20-16-9-6-12(2)11-23(16)21-18/h6-11H,5H2,1-4H3,(H,19,21).
What are the key properties of N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide is sourced from PubChem (CID 118103817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).