N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide

C17H19FN4O — CID 109273905

IUPACN-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(NCc2ccccc2F)cn1
InChIInChI=1S/C17H19FN4O/c18-14-8-4-1-5-12(14)9-20-16-11-19-15(10-21-16)17(23)22-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,20,21)(H,22,23)
InChIKeyWQUMJBOCDYBXTP-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.90
Rot. Bonds5

About N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide

N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109273905) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109273905
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(NCc2ccccc2F)cn1
InChIInChI=1S/C17H19FN4O/c18-14-8-4-1-5-12(14)9-20-16-11-19-15(10-21-16)17(23)22-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,20,21)(H,22,23)
InChIKeyWQUMJBOCDYBXTP-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109271592
N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282300
N-cyclohexyl-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109274738
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796
N-cyclopentyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109273948
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109274670
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233439
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide (CID 109273905) is N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide is O=C(NC1CCCC1)c1cnc(NCc2ccccc2F)cn1.
What is the InChIKey of N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is WQUMJBOCDYBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-8-4-1-5-12(14)9-20-16-11-19-15(10-21-16)17(23)22-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,20,21)(H,22,23).
What are the key properties of N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide?
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109273905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).