N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide

C17H18FN3O — CID 47042253

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1cnccn1
InChIInChI=1S/C17H18FN3O/c18-14-5-3-13(4-6-14)17(7-1-2-8-17)12-21-16(22)15-11-19-9-10-20-15/h3-6,9-11H,1-2,7-8,12H2,(H,21,22)
InChIKeyULZLZNYVIFORDY-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.86
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide (PubChem CID 47042253) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
PubChem CID47042253
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCC1)c1cnccn1
InChIInChI=1S/C17H18FN3O/c18-14-5-3-13(4-6-14)17(7-1-2-8-17)12-21-16(22)15-11-19-9-10-20-15/h3-6,9-11H,1-2,7-8,12H2,(H,21,22)
InChIKeyULZLZNYVIFORDY-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
CID 126774582
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
5-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 52556515
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131924608
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86827891

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide (CID 47042253) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cnccn1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
The InChIKey is ULZLZNYVIFORDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-5-3-13(4-6-14)17(7-1-2-8-17)12-21-16(22)15-11-19-9-10-20-15/h3-6,9-11H,1-2,7-8,12H2,(H,21,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47042253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).