N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H21ClN6O2 — CID 9101159

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C19H21ClN6O2/c1-5-25(10-16(27)22-15-9-14(20)7-6-11(15)2)18(28)17-23-19-21-12(3)8-13(4)26(19)24-17/h6-9H,5,10H2,1-4H3,(H,22,27)
InChIKeyGRPKHRQGCMQCEF-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 9101159) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID9101159
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C19H21ClN6O2/c1-5-25(10-16(27)22-15-9-14(20)7-6-11(15)2)18(28)17-23-19-21-12(3)8-13(4)26(19)24-17/h6-9H,5,10H2,1-4H3,(H,22,27)
InChIKeyGRPKHRQGCMQCEF-UHFFFAOYSA-N
XLogP2.80
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 9101159) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GRPKHRQGCMQCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-5-25(10-16(27)22-15-9-14(20)7-6-11(15)2)18(28)17-23-19-21-12(3)8-13(4)26(19)24-17/h6-9H,5,10H2,1-4H3,(H,22,27).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 9101159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).