N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide

C16H19N3O — CID 3245347

IUPACN-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCCCc1ccc(C(C)NC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H19N3O/c1-3-4-13-5-7-14(8-6-13)12(2)19-16(20)15-11-17-9-10-18-15/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeySQBUYBCBGIYKRO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide

N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 3245347) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID3245347
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCCCc1ccc(C(C)NC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H19N3O/c1-3-4-13-5-7-14(8-6-13)12(2)19-16(20)15-11-17-9-10-18-15/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeySQBUYBCBGIYKRO-UHFFFAOYSA-N
XLogP2.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bortezomib
CID 387447
N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-((1R)-1-borono-3-methylbutyl)-L-phenylalaninamide
CID 50899478
N-(2-phenylethyl)quinoxaline-2-carboxamide
CID 5300647
N-(piperidin-1-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 10126513
5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
CID 10173396
N-phenyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 10215860
5,6-Diaryl-pyrazine-2-amide derivative, 6a
CID 10217960
5,6-Diaryl-pyrazine-2-amide derivative, 6b
CID 10309464
N-(2-phenylpropyl)quinoxaline-2-carboxamide
CID 22136331
((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
CID 24871309
B-((1R)-3-Methyl-1-(((2R)-1-oxo-3-phenyl-2-((2-pyrazinylcarbonyl)amino)propyl)amino)butyl)boronic acid
CID 59476170
[(1R)-4-phenyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butyl]boronic acid
CID 155884491

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide (CID 3245347) is N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide is CCCc1ccc(C(C)NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SQBUYBCBGIYKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-4-13-5-7-14(8-6-13)12(2)19-16(20)15-11-17-9-10-18-15/h5-12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide?
N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3245347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).