N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C19H22N6O2 — CID 3227367

IUPACN-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C19H22N6O2/c1-13-10-17(25-19(22-13)20-12-21-25)24-9-5-6-14(11-24)18(26)23-15-7-3-4-8-16(15)27-2/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3,(H,23,26)
InChIKeyXAWUUZIJCGCRNW-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.30
Rot. Bonds4

About N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 3227367) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
PubChem CID3227367
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C19H22N6O2/c1-13-10-17(25-19(22-13)20-12-21-25)24-9-5-6-14(11-24)18(26)23-15-7-3-4-8-16(15)27-2/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3,(H,23,26)
InChIKeyXAWUUZIJCGCRNW-UHFFFAOYSA-N
XLogP2.30
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 3227367) is N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is COc1ccccc1NC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
The InChIKey is XAWUUZIJCGCRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-10-17(25-19(22-13)20-12-21-25)24-9-5-6-14(11-24)18(26)23-15-7-3-4-8-16(15)27-2/h3-4,7-8,10,12,14H,5-6,9,11H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?
N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3227367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).