N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide

C14H12Cl2N4O — CID 109272324

IUPACN-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-6-17-12-8-18-11(7-19-12)14(21)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,19)(H,20,21)
InChIKeyPACJXNYXEGXEEX-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.63
Rot. Bonds5

About N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272324) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272324
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC NameN-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C14H12Cl2N4O/c1-2-6-17-12-8-18-11(7-19-12)14(21)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,19)(H,20,21)
InChIKeyPACJXNYXEGXEEX-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.63
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-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
N-(2,6-dichlorophenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339596
5-(prop-2-enylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109272249
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
5-(3-chloroanilino)-N-(2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 109292809
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272170
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272206
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272324) is N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)Nc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is PACJXNYXEGXEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-2-6-17-12-8-18-11(7-19-12)14(21)20-13-9(15)4-3-5-10(13)16/h2-5,7-8H,1,6H2,(H,17,19)(H,20,21).
What are the key properties of N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).