N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide

C14H15ClN4O2 — CID 109275941

IUPACN-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
SMILESCOCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C14H15ClN4O2/c1-21-7-6-16-13-9-17-12(8-18-13)14(20)19-11-5-3-2-4-10(11)15/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyXIEADNZVFUDWPN-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.44
Rot. Bonds6

About N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide

N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide (PubChem CID 109275941) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
PubChem CID109275941
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
SMILESCOCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C14H15ClN4O2/c1-21-7-6-16-13-9-17-12(8-18-13)14(20)19-11-5-3-2-4-10(11)15/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H,19,20)
InChIKeyXIEADNZVFUDWPN-UHFFFAOYSA-N
XLogP2.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide (CID 109275941) is N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide is COCCNc1cnc(C(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
The InChIKey is XIEADNZVFUDWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-7-6-16-13-9-17-12(8-18-13)14(20)19-11-5-3-2-4-10(11)15/h2-5,8-9H,6-7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109275941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).