2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide

C20H18Cl2N6O3 — CID 162440388

IUPAC2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H18Cl2N6O3/c21-14-2-1-3-15(22)17(14)28-25-16(18(23)29)19(26-28)24-13-6-4-12(5-7-13)20(30)27-8-10-31-11-9-27/h1-7H,8-11H2,(H2,23,29)(H,24,26)
InChIKeyPDYTUHQTTUNXSO-UHFFFAOYSA-N
MW461.31 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide

2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide (PubChem CID 162440388) has the molecular formula C20H18Cl2N6O3 and a molecular weight of 461.31 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide
PubChem CID162440388
Molecular FormulaC20H18Cl2N6O3
Molecular Weight461.31 g/mol
Exact Mass460.08
IUPAC Name2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H18Cl2N6O3/c21-14-2-1-3-15(22)17(14)28-25-16(18(23)29)19(26-28)24-13-6-4-12(5-7-13)20(30)27-8-10-31-11-9-27/h1-7H,8-11H2,(H2,23,29)(H,24,26)
InChIKeyPDYTUHQTTUNXSO-UHFFFAOYSA-N
XLogP2.89
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(3-cyanoazetidine-1-carbonyl)anilino]-2-(2,6-dichlorophenyl)triazole-4-carboxamide
CID 162440531
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846
2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide
CID 59618366
2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
CID 59618325
5-[4-(morpholine-4-carbonyl)anilino]-3-piperidin-1-yl-1,2,4-triazine-6-carboxamide;1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 144858006
2-(2-chloro-6-fluorocyclohexa-2,4-dien-1-yl)-5-[4-(morpholine-4-carbonyl)anilino]-1,3-oxazole-4-carboxamide
CID 167014281
5-bromo-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 66610082
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholine-4-carbonyl)anilino]pyrazin-2-one
CID 46942383
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
3-[[(3R)-1-but-2-ynoylpyrrolidin-3-yl]amino]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118114692
2-(2,6-dichlorophenyl)-5-[[6-(6-fluoro-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-pyridinyl]amino]triazole-4-carboxamide
CID 166934886
3-[4-(morpholine-4-carbonyl)anilino]benzonitrile
CID 151868524

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide (CID 162440388) is 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide?
The InChIKey is PDYTUHQTTUNXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O3/c21-14-2-1-3-15(22)17(14)28-25-16(18(23)29)19(26-28)24-13-6-4-12(5-7-13)20(30)27-8-10-31-11-9-27/h1-7H,8-11H2,(H2,23,29)(H,24,26).
What are the key properties of 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide?
2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide has a molecular weight of 461.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-[4-(morpholine-4-carbonyl)anilino]triazole-4-carboxamide is sourced from PubChem (CID 162440388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).