5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide

C17H19N3O — CID 52556515

IUPAC5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2(c3ccccc3)CCC2)cn1
InChIInChI=1S/C17H19N3O/c1-13-10-19-15(11-18-13)16(21)20-12-17(8-5-9-17)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,21)
InChIKeyKLXDZHVSGJBIJU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.64
Rot. Bonds4

About 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide

5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide (PubChem CID 52556515) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
PubChem CID52556515
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2(c3ccccc3)CCC2)cn1
InChIInChI=1S/C17H19N3O/c1-13-10-19-15(11-18-13)16(21)20-12-17(8-5-9-17)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,21)
InChIKeyKLXDZHVSGJBIJU-UHFFFAOYSA-N
XLogP2.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
CID 134001978
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 110475489
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 5-methylpyrazine-2-carboxylate
CID 30583280
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
5-chloro-1,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 24652393
N-[(1S,2S,5S)-5-(acetamidomethyl)-2-hydroxy-5-phenylcycloheptyl]-N,5-dimethylpyrazine-2-carboxamide
CID 110159946
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
N-[[(1R,4S,5S)-4-acetamido-5-hydroxy-1-phenylcycloheptyl]methyl]-6-methylpyridine-3-carboxamide
CID 110160003
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide (CID 52556515) is 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2(c3ccccc3)CCC2)cn1.
What is the InChIKey of 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide?
The InChIKey is KLXDZHVSGJBIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-10-19-15(11-18-13)16(21)20-12-17(8-5-9-17)14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,20,21).
What are the key properties of 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide?
5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52556515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).