N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen

C12H21N3O — CID 170981994

IUPACN-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen
SMILESCCC(C)CNC(=O)CCc1cnccn1.[H][H]
InChIInChI=1S/C12H19N3O.H2/c1-3-10(2)8-15-12(16)5-4-11-9-13-6-7-14-11;/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16);1H
InChIKeyVCSCMJJEGBFOKD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.82
Rot. Bonds6

About N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen

N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen (PubChem CID 170981994) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen
PubChem CID170981994
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen
SMILESCCC(C)CNC(=O)CCc1cnccn1.[H][H]
InChIInChI=1S/C12H19N3O.H2/c1-3-10(2)8-15-12(16)5-4-11-9-13-6-7-14-11;/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16);1H
InChIKeyVCSCMJJEGBFOKD-UHFFFAOYSA-N
XLogP1.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrazin-2-ylhexan-3-one
CID 64504751
N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-pyrazin-2-ylpropanamide
CID 122572427
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
CID 118773901
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 118794340
3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 110483781
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-3-pyrazin-2-ylpropanamide
CID 126436988
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
5-pyrazin-2-ylpentanoic acid
CID 22934386
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 72882396
2-(2-methylsulfonylethyl)pyrazine
CID 102287651

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen?
The IUPAC name of N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen (CID 170981994) is N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen.
What is the SMILES notation for N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen?
The canonical SMILES for N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen is CCC(C)CNC(=O)CCc1cnccn1.[H][H].
What is the InChIKey of N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen?
The InChIKey is VCSCMJJEGBFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.H2/c1-3-10(2)8-15-12(16)5-4-11-9-13-6-7-14-11;/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen?
N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen has a molecular weight of 223.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-3-pyrazin-2-ylpropanamide;molecular hydrogen is sourced from PubChem (CID 170981994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).