4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide

C28H30N6O3 — CID 70929362

IUPAC4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
SMILESCC1CN(C(=O)c2ccc(Nc3nc4c(-c5ccc(C(=O)N(C)C)cc5)cccn4n3)cc2)CC(C)O1
InChIInChI=1S/C28H30N6O3/c1-18-16-33(17-19(2)37-18)27(36)22-11-13-23(14-12-22)29-28-30-25-24(6-5-15-34(25)31-28)20-7-9-21(10-8-20)26(35)32(3)4/h5-15,18-19H,16-17H2,1-4H3,(H,29,31)
InChIKeyJLRSOMXTTWHGON-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.09
Rot. Bonds5

About 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide

4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide (PubChem CID 70929362) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
PubChem CID70929362
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
SMILESCC1CN(C(=O)c2ccc(Nc3nc4c(-c5ccc(C(=O)N(C)C)cc5)cccn4n3)cc2)CC(C)O1
InChIInChI=1S/C28H30N6O3/c1-18-16-33(17-19(2)37-18)27(36)22-11-13-23(14-12-22)29-28-30-25-24(6-5-15-34(25)31-28)20-7-9-21(10-8-20)26(35)32(3)4/h5-15,18-19H,16-17H2,1-4H3,(H,29,31)
InChIKeyJLRSOMXTTWHGON-UHFFFAOYSA-N
XLogP4.09
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929378
(3,3-difluoroazetidin-1-yl)-[4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]methanone
CID 70929439
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
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
4-[[8-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91388480
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide (CID 70929362) is 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide is CC1CN(C(=O)c2ccc(Nc3nc4c(-c5ccc(C(=O)N(C)C)cc5)cccn4n3)cc2)CC(C)O1.
What is the InChIKey of 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
The InChIKey is JLRSOMXTTWHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-18-16-33(17-19(2)37-18)27(36)22-11-13-23(14-12-22)29-28-30-25-24(6-5-15-34(25)31-28)20-7-9-21(10-8-20)26(35)32(3)4/h5-15,18-19H,16-17H2,1-4H3,(H,29,31).
What are the key properties of 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide has a molecular weight of 498.59 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 70929362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).