5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide

C15H13ClFN3O — CID 103803267

IUPAC5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(c1cnc(Cl)cn1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H13ClFN3O/c16-14-8-18-13(7-19-14)15(21)20(11-5-6-11)9-10-3-1-2-4-12(10)17/h1-4,7-8,11H,5-6,9H2
InChIKeyQHBOZSWHUPVCNJ-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.07
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide

5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 103803267) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID103803267
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(c1cnc(Cl)cn1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H13ClFN3O/c16-14-8-18-13(7-19-14)15(21)20(11-5-6-11)9-10-3-1-2-4-12(10)17/h1-4,7-8,11H,5-6,9H2
InChIKeyQHBOZSWHUPVCNJ-UHFFFAOYSA-N
XLogP3.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]isoquinoline-3-carboxamide
CID 55621998
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 34577677
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119691625
4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 24560758
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 37320361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 103803267) is 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide is O=C(c1cnc(Cl)cn1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is QHBOZSWHUPVCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-14-8-18-13(7-19-14)15(21)20(11-5-6-11)9-10-3-1-2-4-12(10)17/h1-4,7-8,11H,5-6,9H2.
What are the key properties of 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide?
5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 305.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103803267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).