N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide

C19H20F2N4O2 — CID 167450660

IUPACN-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/C3CCC(F)(F)CC3)n2)cc1
InChIInChI=1S/C19H20F2N4O2/c1-27-15-4-2-14(3-5-15)16-11-22-12-17(24-16)18(26)25-23-10-13-6-8-19(20,21)9-7-13/h2-5,10-13H,6-9H2,1H3,(H,25,26)/b23-10+
InChIKeyDBFUCPYWXFGTRE-AUEPDCJTSA-N
MW374.39 g/mol
LogP3.69
Rot. Bonds5

About N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide

N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 167450660) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID167450660
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC NameN-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/C3CCC(F)(F)CC3)n2)cc1
InChIInChI=1S/C19H20F2N4O2/c1-27-15-4-2-14(3-5-15)16-11-22-12-17(24-16)18(26)25-23-10-13-6-8-19(20,21)9-7-13/h2-5,10-13H,6-9H2,1H3,(H,25,26)/b23-10+
InChIKeyDBFUCPYWXFGTRE-AUEPDCJTSA-N
XLogP3.69
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 167450660) is N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(-c2cncc(C(=O)N/N=C/C3CCC(F)(F)CC3)n2)cc1.
What is the InChIKey of N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is DBFUCPYWXFGTRE-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-27-15-4-2-14(3-5-15)16-11-22-12-17(24-16)18(26)25-23-10-13-6-8-19(20,21)9-7-13/h2-5,10-13H,6-9H2,1H3,(H,25,26)/b23-10+.
What are the key properties of N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 167450660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).