6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide

C22H19N5O4 — CID 167450671

IUPAC6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)cc4ncoc34)n2)cc1
InChIInChI=1S/C22H19N5O4/c1-3-30-16-6-4-14(5-7-16)19-11-23-12-20(26-19)22(28)27-25-10-15-8-17(29-2)9-18-21(15)31-13-24-18/h4-13H,3H2,1-2H3,(H,27,28)/b25-10+
InChIKeyJBUIBJJJDOEKPI-KIBLKLHPSA-N
MW417.43 g/mol
LogP3.46
Rot. Bonds7

About 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide

6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 167450671) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide
PubChem CID167450671
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)cc4ncoc34)n2)cc1
InChIInChI=1S/C22H19N5O4/c1-3-30-16-6-4-14(5-7-16)19-11-23-12-20(26-19)22(28)27-25-10-15-8-17(29-2)9-18-21(15)31-13-24-18/h4-13H,3H2,1-2H3,(H,27,28)/b25-10+
InChIKeyJBUIBJJJDOEKPI-KIBLKLHPSA-N
XLogP3.46
TPSA111.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

N-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
6-(4-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
6-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methylideneamino]pyrazine-2-carboxamide
CID 175559978
6-(4-ethoxyphenyl)-N-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813
N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450631
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
N-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 167450857

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide (CID 167450671) is 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide is CCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)cc4ncoc34)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is JBUIBJJJDOEKPI-KIBLKLHPSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-3-30-16-6-4-14(5-7-16)19-11-23-12-20(26-19)22(28)27-25-10-15-8-17(29-2)9-18-21(15)31-13-24-18/h4-13H,3H2,1-2H3,(H,27,28)/b25-10+.
What are the key properties of 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide?
6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 167450671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).