N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide

C15H15ClN4O2 — CID 6498574

IUPACN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H15ClN4O2/c16-12-3-1-11(2-4-12)9-14(21)19-7-8-20-15(22)13-10-17-5-6-18-13/h1-6,10H,7-9H2,(H,19,21)(H,20,22)
InChIKeyLOQSGUJZIXIZNK-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.22
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498574) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498574
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H15ClN4O2/c16-12-3-1-11(2-4-12)9-14(21)19-7-8-20-15(22)13-10-17-5-6-18-13/h1-6,10H,7-9H2,(H,19,21)(H,20,22)
InChIKeyLOQSGUJZIXIZNK-UHFFFAOYSA-N
XLogP1.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide
CID 108574675
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 8990848
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]pyrazine-2-carboxamide
CID 39231127
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
CID 6498608
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
CID 42016082
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 6498574) is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide is O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is LOQSGUJZIXIZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-12-3-1-11(2-4-12)9-14(21)19-7-8-20-15(22)13-10-17-5-6-18-13/h1-6,10H,7-9H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).