2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide

C15H16ClN3O — CID 46226160

IUPAC2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)14(11-3-5-12(16)6-4-11)15(20)19-13-9-17-7-8-18-13/h3-10,14H,1-2H3,(H,18,19,20)
InChIKeyTZUSFIDGTUCEET-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide

2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide (PubChem CID 46226160) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
PubChem CID46226160
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
SMILESCC(C)C(C(=O)Nc1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-10(2)14(11-3-5-12(16)6-4-11)15(20)19-13-9-17-7-8-18-13/h3-10,14H,1-2H3,(H,18,19,20)
InChIKeyTZUSFIDGTUCEET-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
(2R)-2-(4-chlorophenyl)-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 25438052
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1H-pyrazol-5-yl)butanamide
CID 46226178
2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 115609317
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 53257805
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
3-(ethylamino)-2-methyl-N-pyrazin-2-ylpropanamide
CID 62853429
2-(3-chlorophenyl)-2-(dimethylamino)-N-pyrazin-2-ylacetamide
CID 167941660
2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 118104941
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 61154929
2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 76893313

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide (CID 46226160) is 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide is CC(C)C(C(=O)Nc1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide?
The InChIKey is TZUSFIDGTUCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10(2)14(11-3-5-12(16)6-4-11)15(20)19-13-9-17-7-8-18-13/h3-10,14H,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide?
2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide has a molecular weight of 289.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide is sourced from PubChem (CID 46226160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).