3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide

C12H9ClF2N4O2 — CID 75475805

IUPAC3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C12H9ClF2N4O2/c13-7-2-1-6(5-8(7)21-12(14)15)19-11(20)9-10(16)18-4-3-17-9/h1-5,12H,(H2,16,18)(H,19,20)
InChIKeyHIOGJOPUHSDMDJ-UHFFFAOYSA-N
MW314.68 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide

3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 75475805) has the molecular formula C12H9ClF2N4O2 and a molecular weight of 314.68 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID75475805
Molecular FormulaC12H9ClF2N4O2
Molecular Weight314.68 g/mol
Exact Mass314.04
IUPAC Name3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C12H9ClF2N4O2/c13-7-2-1-6(5-8(7)21-12(14)15)19-11(20)9-10(16)18-4-3-17-9/h1-5,12H,(H2,16,18)(H,19,20)
InChIKeyHIOGJOPUHSDMDJ-UHFFFAOYSA-N
XLogP2.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.68
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
CID 52763720
3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
N-[4-chloro-3-(difluoromethoxy)phenyl]-2-(dimethylamino)acetamide
CID 86805225
N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 139021619
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
1-[4-chloro-3-(difluoromethoxy)phenyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 75451509
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 42893106
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 75475805) is 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(Cl)c(OC(F)F)c1.
What is the InChIKey of 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is HIOGJOPUHSDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N4O2/c13-7-2-1-6(5-8(7)21-12(14)15)19-11(20)9-10(16)18-4-3-17-9/h1-5,12H,(H2,16,18)(H,19,20).
What are the key properties of 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 314.68 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75475805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).