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

C14H13BrN4O — CID 109272071

IUPAC5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H13BrN4O/c1-2-7-16-14(20)12-8-18-13(9-17-12)19-11-5-3-10(15)4-6-11/h2-6,8-9H,1,7H2,(H,16,20)(H,18,19)
InChIKeyGHYAPEDQZDMGNT-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.90
Rot. Bonds5

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

5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide (PubChem CID 109272071) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
PubChem CID109272071
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H13BrN4O/c1-2-7-16-14(20)12-8-18-13(9-17-12)19-11-5-3-10(15)4-6-11/h2-6,8-9H,1,7H2,(H,16,20)(H,18,19)
InChIKeyGHYAPEDQZDMGNT-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276134
N-prop-2-enyl-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109272085
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
5-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-(4-bromoanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291484
5-(2-methoxyethylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271955
5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180409
N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide (CID 109272071) is 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide is C=CCNC(=O)c1cnc(Nc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide?
The InChIKey is GHYAPEDQZDMGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-2-7-16-14(20)12-8-18-13(9-17-12)19-11-5-3-10(15)4-6-11/h2-6,8-9H,1,7H2,(H,16,20)(H,18,19).
What are the key properties of 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide?
5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)-N-prop-2-enylpyrazine-2-carboxamide is sourced from PubChem (CID 109272071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).