5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide

C16H16N4O2 — CID 109272088

IUPAC5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccc(C(C)=O)cc2)cn1
InChIInChI=1S/C16H16N4O2/c1-3-8-17-16(22)14-9-19-15(10-18-14)20-13-6-4-12(5-7-13)11(2)21/h3-7,9-10H,1,8H2,2H3,(H,17,22)(H,19,20)
InChIKeyLDOVCYQJBBCGRA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.34
Rot. Bonds6

About 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide

5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109272088) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109272088
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccc(C(C)=O)cc2)cn1
InChIInChI=1S/C16H16N4O2/c1-3-8-17-16(22)14-9-19-15(10-18-14)20-13-6-4-12(5-7-13)11(2)21/h3-7,9-10H,1,8H2,2H3,(H,17,22)(H,19,20)
InChIKeyLDOVCYQJBBCGRA-UHFFFAOYSA-N
XLogP2.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272071
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109276874
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293861
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide (CID 109272088) is 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(Nc2ccc(C(C)=O)cc2)cn1.
What is the InChIKey of 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is LDOVCYQJBBCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-8-17-16(22)14-9-19-15(10-18-14)20-13-6-4-12(5-7-13)11(2)21/h3-7,9-10H,1,8H2,2H3,(H,17,22)(H,19,20).
What are the key properties of 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide?
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109272088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).