N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

C17H18N6O2 — CID 136521968

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnc3c(c2)nnn3C)c1
InChIInChI=1S/C17H18N6O2/c1-4-18-16(24)11-6-5-10(2)13(7-11)20-17(25)12-8-14-15(19-9-12)23(3)22-21-14/h5-9H,4H2,1-3H3,(H,18,24)(H,20,25)
InChIKeyPYLJKNCZWMDBQY-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.67
Rot. Bonds4

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 136521968) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
PubChem CID136521968
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cnc3c(c2)nnn3C)c1
InChIInChI=1S/C17H18N6O2/c1-4-18-16(24)11-6-5-10(2)13(7-11)20-17(25)12-8-14-15(19-9-12)23(3)22-21-14/h5-9H,4H2,1-3H3,(H,18,24)(H,20,25)
InChIKeyPYLJKNCZWMDBQY-UHFFFAOYSA-N
XLogP1.67
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 167901133
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 99637181
N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
N-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 167937637
N,N-di(butan-2-yl)-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 86795418
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-[5-(ethylcarbamoyl)-2-methylphenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131890652
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
CID 154742725

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide (CID 136521968) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cnc3c(c2)nnn3C)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is PYLJKNCZWMDBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-4-18-16(24)11-6-5-10(2)13(7-11)20-17(25)12-8-14-15(19-9-12)23(3)22-21-14/h5-9H,4H2,1-3H3,(H,18,24)(H,20,25).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 136521968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).