N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide

C18H23N3O — CID 129102829

IUPACN-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)[C@@H](NC(=O)c1cnc(C)cn1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-4-14(5-2)17(15-9-7-6-8-10-15)21-18(22)16-12-19-13(3)11-20-16/h6-12,14,17H,4-5H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyAYSUZDKCNKHJJS-QGZVFWFLSA-N
MW297.40 g/mol
LogP3.69
Rot. Bonds6

About N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide

N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide (PubChem CID 129102829) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
PubChem CID129102829
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)[C@@H](NC(=O)c1cnc(C)cn1)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-4-14(5-2)17(15-9-7-6-8-10-15)21-18(22)16-12-19-13(3)11-20-16/h6-12,14,17H,4-5H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyAYSUZDKCNKHJJS-QGZVFWFLSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
CID 61259747
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
N-(3-ethyl-2-hydroxypentyl)-5-methylpyrazine-2-carboxamide
CID 103658212
(3R)-3-(4-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774886

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide (CID 129102829) is N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide is CCC(CC)[C@@H](NC(=O)c1cnc(C)cn1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is AYSUZDKCNKHJJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14(5-2)17(15-9-7-6-8-10-15)21-18(22)16-12-19-13(3)11-20-16/h6-12,14,17H,4-5H2,1-3H3,(H,21,22)/t17-/m1/s1.
What are the key properties of N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide?
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 129102829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).