N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide

C17H25N7O — CID 131937883

IUPACN-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCCc1n[nH]c(CN2CCC(CNC(=O)c3cnc(C)cn3)CC2)n1
InChIInChI=1S/C17H25N7O/c1-3-15-21-16(23-22-15)11-24-6-4-13(5-7-24)9-20-17(25)14-10-18-12(2)8-19-14/h8,10,13H,3-7,9,11H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyCWBIWQCMSXLYAQ-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.11
Rot. Bonds6

About N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 131937883) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID131937883
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCCc1n[nH]c(CN2CCC(CNC(=O)c3cnc(C)cn3)CC2)n1
InChIInChI=1S/C17H25N7O/c1-3-15-21-16(23-22-15)11-24-6-4-13(5-7-24)9-20-17(25)14-10-18-12(2)8-19-14/h8,10,13H,3-7,9,11H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyCWBIWQCMSXLYAQ-UHFFFAOYSA-N
XLogP1.11
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131929434
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 6489668
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
4-ethoxy-2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 86816156
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 131937883) is N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide is CCc1n[nH]c(CN2CCC(CNC(=O)c3cnc(C)cn3)CC2)n1.
What is the InChIKey of N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is CWBIWQCMSXLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-3-15-21-16(23-22-15)11-24-6-4-13(5-7-24)9-20-17(25)14-10-18-12(2)8-19-14/h8,10,13H,3-7,9,11H2,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 131937883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).