N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H19ClN6O — CID 17488366

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)nn12
InChIInChI=1S/C18H19ClN6O/c1-12-7-8-20-18-22-16(23-25(12)18)17(26)21-14-11-13(19)5-6-15(14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,26)
InChIKeyWZCDWZQFNMOWCY-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.33
Rot. Bonds3

About N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17488366) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17488366
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)nn12
InChIInChI=1S/C18H19ClN6O/c1-12-7-8-20-18-22-16(23-25(12)18)17(26)21-14-11-13(19)5-6-15(14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,26)
InChIKeyWZCDWZQFNMOWCY-UHFFFAOYSA-N
XLogP3.33
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581633
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 55419413
7-methyl-N'-(2,4,6-trichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 26251367
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CID 18150434
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26181622
N-[2-(4-chlorophenyl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26516337
N-(5-chloro-2-piperidin-1-ylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4820411
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71684974
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17488366) is N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)nn12.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WZCDWZQFNMOWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-12-7-8-20-18-22-16(23-25(12)18)17(26)21-14-11-13(19)5-6-15(14)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,26).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17488366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).