N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide

C19H21N5O4 — CID 53204352

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
SMILESCOc1ccc(OC)c(CNC(=O)CCC(=O)Nc2nnc3ccccn23)c1
InChIInChI=1S/C19H21N5O4/c1-27-14-6-7-15(28-2)13(11-14)12-20-17(25)8-9-18(26)21-19-23-22-16-5-3-4-10-24(16)19/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,25)(H,21,23,26)
InChIKeyGHJYFMNYFITUGS-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.78
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide

N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide (PubChem CID 53204352) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
PubChem CID53204352
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
SMILESCOc1ccc(OC)c(CNC(=O)CCC(=O)Nc2nnc3ccccn23)c1
InChIInChI=1S/C19H21N5O4/c1-27-14-6-7-15(28-2)13(11-14)12-20-17(25)8-9-18(26)21-19-23-22-16-5-3-4-10-24(16)19/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,25)(H,21,23,26)
InChIKeyGHJYFMNYFITUGS-UHFFFAOYSA-N
XLogP1.78
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474337
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide
CID 53204336
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
N-[(2,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051264
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-(2,5-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355729
2-(2,4-dimethoxyphenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474102
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
N-(2,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355806

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide (CID 53204352) is N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide is COc1ccc(OC)c(CNC(=O)CCC(=O)Nc2nnc3ccccn23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide?
The InChIKey is GHJYFMNYFITUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-27-14-6-7-15(28-2)13(11-14)12-20-17(25)8-9-18(26)21-19-23-22-16-5-3-4-10-24(16)19/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,25)(H,21,23,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide?
N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide has a molecular weight of 383.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide is sourced from PubChem (CID 53204352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).