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

C17H21N3O — CID 42997249

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2cnccn2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)10-14-4-6-15(7-5-14)13(3)20-17(21)16-11-18-8-9-19-16/h4-9,11-13H,10H2,1-3H3,(H,20,21)
InChIKeyODQDFNKVJRDRFE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.17
Rot. Bonds5

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

N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 42997249) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID42997249
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2cnccn2)cc1
InChIInChI=1S/C17H21N3O/c1-12(2)10-14-4-6-15(7-5-14)13(3)20-17(21)16-11-18-8-9-19-16/h4-9,11-13H,10H2,1-3H3,(H,20,21)
InChIKeyODQDFNKVJRDRFE-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]pyrazine-2-carboxamide
CID 30479888
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 40881028
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 162260184
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide (CID 42997249) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is ODQDFNKVJRDRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)10-14-4-6-15(7-5-14)13(3)20-17(21)16-11-18-8-9-19-16/h4-9,11-13H,10H2,1-3H3,(H,20,21).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42997249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).