N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide

C12H19N3O — CID 115612532

IUPACN-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C12H19N3O/c1-4-10(5-2)7-15-12(16)11-8-13-9(3)6-14-11/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyNGPGJIZAYSETKR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.95
Rot. Bonds5

About N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide

N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide (PubChem CID 115612532) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
PubChem CID115612532
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)CNC(=O)c1cnc(C)cn1
InChIInChI=1S/C12H19N3O/c1-4-10(5-2)7-15-12(16)11-8-13-9(3)6-14-11/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyNGPGJIZAYSETKR-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
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
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(2-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111102422
5-methyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazine-2-carboxamide
CID 37248087
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
2-hydroxy-4-[(5-methylpyrazine-2-carbonyl)amino]butanoic acid
CID 107831683

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide (CID 115612532) is N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide is CCC(CC)CNC(=O)c1cnc(C)cn1.
What is the InChIKey of N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is NGPGJIZAYSETKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-10(5-2)7-15-12(16)11-8-13-9(3)6-14-11/h6,8,10H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide?
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 115612532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).