N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide

C26H29N5O2 — CID 59589600

IUPACN-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(-c2cccc3nc(Cc4ccc(CC(=O)NCCN(C)C)cc4)nn23)cc1
InChIInChI=1S/C26H29N5O2/c1-30(2)16-15-27-26(32)18-20-9-7-19(8-10-20)17-24-28-25-6-4-5-23(31(25)29-24)21-11-13-22(33-3)14-12-21/h4-14H,15-18H2,1-3H3,(H,27,32)
InChIKeyWCWRUOBAHHJGRK-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.22
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide (PubChem CID 59589600) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide
PubChem CID59589600
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(-c2cccc3nc(Cc4ccc(CC(=O)NCCN(C)C)cc4)nn23)cc1
InChIInChI=1S/C26H29N5O2/c1-30(2)16-15-27-26(32)18-20-9-7-19(8-10-20)17-24-28-25-6-4-5-23(31(25)29-24)21-11-13-22(33-3)14-12-21/h4-14H,15-18H2,1-3H3,(H,27,32)
InChIKeyWCWRUOBAHHJGRK-UHFFFAOYSA-N
XLogP3.22
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methylpropan-1-amine
CID 157056823
N-benzyl-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-methylethanamine
CID 59589871
N-[[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 163591521
2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N-(pyridin-2-ylmethyl)ethanamine
CID 59589581
N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine
CID 59590127
5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 159664615
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[(4-methoxyphenyl)methyl]-4-[2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline
CID 59589933
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
(2R)-2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 59589947
3-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 59590060
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide (CID 59589600) is N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide is COc1ccc(-c2cccc3nc(Cc4ccc(CC(=O)NCCN(C)C)cc4)nn23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide?
The InChIKey is WCWRUOBAHHJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-30(2)16-15-27-26(32)18-20-9-7-19(8-10-20)17-24-28-25-6-4-5-23(31(25)29-24)21-11-13-22(33-3)14-12-21/h4-14H,15-18H2,1-3H3,(H,27,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 59589600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).