N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide

C16H19N3O — CID 78781899

IUPACN-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C16H19N3O/c1-3-9-19(12-14-7-5-4-6-8-14)16(20)15-11-17-13(2)10-18-15/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyVCORHIRLHLXLJJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.84
Rot. Bonds5

About N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide

N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide (PubChem CID 78781899) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
PubChem CID78781899
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C16H19N3O/c1-3-9-19(12-14-7-5-4-6-8-14)16(20)15-11-17-13(2)10-18-15/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyVCORHIRLHLXLJJ-UHFFFAOYSA-N
XLogP2.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-benzyl-5-methylpyrazine-2-carboxamide
CID 1026333
N-benzyl-6-chloro-N-propylpyrazine-2-carboxamide
CID 103186970
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 7419199
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide (CID 78781899) is N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide is CCCN(Cc1ccccc1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide?
The InChIKey is VCORHIRLHLXLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-9-19(12-14-7-5-4-6-8-14)16(20)15-11-17-13(2)10-18-15/h4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide?
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 78781899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).