N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide

C16H18N4O — CID 109272245

IUPACN-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)N(CC)c2ccccc2)cn1
InChIInChI=1S/C16H18N4O/c1-3-10-17-15-12-18-14(11-19-15)16(21)20(4-2)13-8-6-5-7-9-13/h3,5-9,11-12H,1,4,10H2,2H3,(H,17,19)
InChIKeyJSBNPJCUDUEKKC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.74
Rot. Bonds6

About N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272245) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272245
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)N(CC)c2ccccc2)cn1
InChIInChI=1S/C16H18N4O/c1-3-10-17-15-12-18-14(11-19-15)16(21)20(4-2)13-8-6-5-7-9-13/h3,5-9,11-12H,1,4,10H2,2H3,(H,17,19)
InChIKeyJSBNPJCUDUEKKC-UHFFFAOYSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
N-ethyl-5-(3-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291751
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
5-(3-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291719
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109287454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272245) is N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)N(CC)c2ccccc2)cn1.
What is the InChIKey of N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is JSBNPJCUDUEKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-10-17-15-12-18-14(11-19-15)16(21)20(4-2)13-8-6-5-7-9-13/h3,5-9,11-12H,1,4,10H2,2H3,(H,17,19).
What are the key properties of N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).