N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

C28H25N7O2 — CID 70929378

IUPACN,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCc5ccccn5)cc4)nc23)cc1
InChIInChI=1S/C28H25N7O2/c1-34(2)27(37)21-10-8-19(9-11-21)24-7-5-17-35-25(24)32-28(33-35)31-22-14-12-20(13-15-22)26(36)30-18-23-6-3-4-16-29-23/h3-17H,18H2,1-2H3,(H,30,36)(H,31,33)
InChIKeyZBTZYYWPPZAYMK-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.17
Rot. Bonds7

About N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide

N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (PubChem CID 70929378) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
PubChem CID70929378
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC NameN,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCc5ccccn5)cc4)nc23)cc1
InChIInChI=1S/C28H25N7O2/c1-34(2)27(37)21-10-8-19(9-11-21)24-7-5-17-35-25(24)32-28(33-35)31-22-14-12-20(13-15-22)26(36)30-18-23-6-3-4-16-29-23/h3-17H,18H2,1-2H3,(H,30,36)(H,31,33)
InChIKeyZBTZYYWPPZAYMK-UHFFFAOYSA-N
XLogP4.17
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929612
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
CID 91081447
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59198980
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 44553802
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
N-(2-amino-2-methylpropyl)-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199060
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643
ethyl 4-[2-[4-(2-pyridin-2-ylethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121434878
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 70929544
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide (CID 70929378) is N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is CN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCc5ccccn5)cc4)nc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
The InChIKey is ZBTZYYWPPZAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-34(2)27(37)21-10-8-19(9-11-21)24-7-5-17-35-25(24)32-28(33-35)31-22-14-12-20(13-15-22)26(36)30-18-23-6-3-4-16-29-23/h3-17H,18H2,1-2H3,(H,30,36)(H,31,33).
What are the key properties of N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide?
N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide has a molecular weight of 491.56 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 70929378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).