N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide

C21H25N5O2 — CID 50840883

IUPACN-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(c2nnc(C)n3cccc23)CC1
InChIInChI=1S/C21H25N5O2/c1-3-28-19-9-5-4-7-17(19)22-21(27)16-10-13-25(14-11-16)20-18-8-6-12-26(18)15(2)23-24-20/h4-9,12,16H,3,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyRNDLDPFLBVCWOP-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.29
Rot. Bonds5

About N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide

N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide (PubChem CID 50840883) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide
PubChem CID50840883
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(c2nnc(C)n3cccc23)CC1
InChIInChI=1S/C21H25N5O2/c1-3-28-19-9-5-4-7-17(19)22-21(27)16-10-13-25(14-11-16)20-18-8-6-12-26(18)15(2)23-24-20/h4-9,12,16H,3,10-11,13-14H2,1-2H3,(H,22,27)
InChIKeyRNDLDPFLBVCWOP-UHFFFAOYSA-N
XLogP3.29
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
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CID 46290154
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 90514251
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CID 1077678
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1-(4-tert-butylbenzoyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 126062025
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide (CID 50840883) is N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(c2nnc(C)n3cccc23)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide?
The InChIKey is RNDLDPFLBVCWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-28-19-9-5-4-7-17(19)22-21(27)16-10-13-25(14-11-16)20-18-8-6-12-26(18)15(2)23-24-20/h4-9,12,16H,3,10-11,13-14H2,1-2H3,(H,22,27).
What are the key properties of N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide?
N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50840883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).