N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C19H21N7O2 — CID 91903864

IUPACN-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2nc(-c3cnccn3)n[nH]2)cc1
InChIInChI=1S/C19H21N7O2/c1-28-14-7-5-13(6-8-14)22-19(27)26-11-3-2-4-16(26)18-23-17(24-25-18)15-12-20-9-10-21-15/h5-10,12,16H,2-4,11H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyNZEHFSZLRJTUQX-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.03
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 91903864) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID91903864
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC2c2nc(-c3cnccn3)n[nH]2)cc1
InChIInChI=1S/C19H21N7O2/c1-28-14-7-5-13(6-8-14)22-19(27)26-11-3-2-4-16(26)18-23-17(24-25-18)15-12-20-9-10-21-15/h5-10,12,16H,2-4,11H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyNZEHFSZLRJTUQX-UHFFFAOYSA-N
XLogP3.03
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(4-((4-((5-Methyl-1H-pyrazol-3-yl)amino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)oxy)phenyl)propionamide (24)
CID 91844461
N-[4-({4-(4-Methylpiperazin-1-Yl)-6-[(5-Methyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}oxy)phenyl]prop-2-Enamide
CID 68342470
N-(4-Methoxy-phenyl)-2-(5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3161723
4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 44578538
2-[4-[4-(4-Methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11337030
N-(4-Phenoxyphenyl)-4-(4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinecarboxamide
CID 11373369
2-[4-(6-Methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-phenoxypyrazine
CID 16062053
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-amine
CID 46229785
3-(4-ethoxyphenyl)-N-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 71667612

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 91903864) is N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCCC2c2nc(-c3cnccn3)n[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is NZEHFSZLRJTUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-28-14-7-5-13(6-8-14)22-19(27)26-11-3-2-4-16(26)18-23-17(24-25-18)15-12-20-9-10-21-15/h5-10,12,16H,2-4,11H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91903864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).