1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide

C18H27N7O — CID 86206865

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(CC(C)C)n3)C2)n1
InChIInChI=1S/C18H27N7O/c1-11(2)8-15-21-17(24-23-15)22-16(26)14-6-5-7-25(10-14)18-19-12(3)9-13(4)20-18/h9,11,14H,5-8,10H2,1-4H3,(H2,21,22,23,24,26)
InChIKeyUSFWWSSKNOTKLB-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.27
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide (PubChem CID 86206865) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
PubChem CID86206865
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(CC(C)C)n3)C2)n1
InChIInChI=1S/C18H27N7O/c1-11(2)8-15-21-17(24-23-15)22-16(26)14-6-5-7-25(10-14)18-19-12(3)9-13(4)20-18/h9,11,14H,5-8,10H2,1-4H3,(H2,21,22,23,24,26)
InChIKeyUSFWWSSKNOTKLB-UHFFFAOYSA-N
XLogP2.27
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556820
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
CID 96557536
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
CID 124880075
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide (CID 86206865) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3n[nH]c(CC(C)C)n3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The InChIKey is USFWWSSKNOTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-11(2)8-15-21-17(24-23-15)22-16(26)14-6-5-7-25(10-14)18-19-12(3)9-13(4)20-18/h9,11,14H,5-8,10H2,1-4H3,(H2,21,22,23,24,26).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 86206865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).