N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide

C14H13ClN4O — CID 109272257

IUPACN-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H13ClN4O/c1-2-6-16-13-9-17-12(8-18-13)14(20)19-11-5-3-4-10(15)7-11/h2-5,7-9H,1,6H2,(H,16,18)(H,19,20)
InChIKeyIAFBGZFIONLBMI-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.98
Rot. Bonds5

About N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272257) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272257
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2cccc(Cl)c2)cn1
InChIInChI=1S/C14H13ClN4O/c1-2-6-16-13-9-17-12(8-18-13)14(20)19-11-5-3-4-10(15)7-11/h2-5,7-9H,1,6H2,(H,16,18)(H,19,20)
InChIKeyIAFBGZFIONLBMI-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.98
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

N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272324
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283424
5-(prop-2-enylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109272282
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272317
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272206
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109289157
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272257) is N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)Nc2cccc(Cl)c2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is IAFBGZFIONLBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-6-16-13-9-17-12(8-18-13)14(20)19-11-5-3-4-10(15)7-11/h2-5,7-9H,1,6H2,(H,16,18)(H,19,20).
What are the key properties of N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 288.74 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).