N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide

C13H21N3O2 — CID 103658212

IUPACN-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H21N3O2/c1-4-10(5-2)12(17)8-16-13(18)11-7-14-9(3)6-15-11/h6-7,10,12,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyRCPJDNQFEMDBKW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide

N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide (PubChem CID 103658212) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
PubChem CID103658212
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C13H21N3O2/c1-4-10(5-2)12(17)8-16-13(18)11-7-14-9(3)6-15-11/h6-7,10,12,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyRCPJDNQFEMDBKW-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683
N-(3-ethyl-2-hydroxypentyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 113248507
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42959845
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide (CID 103658212) is N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide is CCC(CC)C(O)CNC(=O)c1cnc(C)cn1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is RCPJDNQFEMDBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-10(5-2)12(17)8-16-13(18)11-7-14-9(3)6-15-11/h6-7,10,12,17H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103658212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).