N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H16N4O3 — CID 50784686

IUPACN-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nnc(C)n3c2)cc(OC)c1
InChIInChI=1S/C16H16N4O3/c1-10-18-19-15-5-4-11(9-20(10)15)16(21)17-12-6-13(22-2)8-14(7-12)23-3/h4-9H,1-3H3,(H,17,21)
InChIKeySGAFMRLPHZOOTQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.31
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 50784686) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID50784686
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nnc(C)n3c2)cc(OC)c1
InChIInChI=1S/C16H16N4O3/c1-10-18-19-15-5-4-11(9-20(10)15)16(21)17-12-6-13(22-2)8-14(7-12)23-3/h4-9H,1-3H3,(H,17,21)
InChIKeySGAFMRLPHZOOTQ-UHFFFAOYSA-N
XLogP2.31
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
N-(3,5-difluoro-4-iodophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 86880713
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 75369016
N-(3-chloro-4-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 50743657
N-(2-fluorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 53006783
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 51130536
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 51103013
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
(2S)-3-methyl-2-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
CID 119359358
N-(2-ethyl-2-hydroxybutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111483300

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 50784686) is N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1cc(NC(=O)c2ccc3nnc(C)n3c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SGAFMRLPHZOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-18-19-15-5-4-11(9-20(10)15)16(21)17-12-6-13(22-2)8-14(7-12)23-3/h4-9H,1-3H3,(H,17,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 50784686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).