N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H23ClN6O2 — CID 39590469

IUPACN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)nc2n1
InChIInChI=1S/C20H23ClN6O2/c1-13-11-14(2)27-20(23-13)24-18(25-27)19(28)22-12-17(26-7-9-29-10-8-26)15-5-3-4-6-16(15)21/h3-6,11,17H,7-10,12H2,1-2H3,(H,22,28)/t17-/m0/s1
InChIKeyYYUFXZDQMCKJKS-KRWDZBQOSA-N
MW414.90 g/mol
LogP2.20
Rot. Bonds5

About N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 39590469) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID39590469
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)nc2n1
InChIInChI=1S/C20H23ClN6O2/c1-13-11-14(2)27-20(23-13)24-18(25-27)19(28)22-12-17(26-7-9-29-10-8-26)15-5-3-4-6-16(15)21/h3-6,11,17H,7-10,12H2,1-2H3,(H,22,28)/t17-/m0/s1
InChIKeyYYUFXZDQMCKJKS-KRWDZBQOSA-N
XLogP2.20
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55712867
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120642320
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
5,7-dimethyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34940122
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 39590469) is N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)nc2n1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YYUFXZDQMCKJKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-13-11-14(2)27-20(23-13)24-18(25-27)19(28)22-12-17(26-7-9-29-10-8-26)15-5-3-4-6-16(15)21/h3-6,11,17H,7-10,12H2,1-2H3,(H,22,28)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 414.90 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 39590469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).