1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide

C17H20N6O2 — CID 70814551

IUPAC1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H20N6O2/c1-11-19-15(14-5-3-4-8-18-14)21-17(20-11)22-16(25)13-6-9-23(10-7-13)12(2)24/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,19,20,21,22,25)
InChIKeyODMBBRRECCGEOT-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.44
Rot. Bonds3

About 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide

1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide (PubChem CID 70814551) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
PubChem CID70814551
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H20N6O2/c1-11-19-15(14-5-3-4-8-18-14)21-17(20-11)22-16(25)13-6-9-23(10-7-13)12(2)24/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,19,20,21,22,25)
InChIKeyODMBBRRECCGEOT-UHFFFAOYSA-N
XLogP1.44
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide (CID 70814551) is 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
The InChIKey is ODMBBRRECCGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-19-15(14-5-3-4-8-18-14)21-17(20-11)22-16(25)13-6-9-23(10-7-13)12(2)24/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,19,20,21,22,25).
What are the key properties of 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide?
1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 70814551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).