5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide

C20H19ClN4O — CID 109287011

IUPAC5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O/c21-16-8-10-17(11-9-16)25-19-14-23-18(13-24-19)20(26)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,22,26)(H,24,25)
InChIKeyGFZFXTSERGSOOC-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.24
Rot. Bonds7

About 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide

5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 109287011) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
PubChem CID109287011
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H19ClN4O/c21-16-8-10-17(11-9-16)25-19-14-23-18(13-24-19)20(26)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,22,26)(H,24,25)
InChIKeyGFZFXTSERGSOOC-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.24
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

5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287022
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide (CID 109287011) is 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide is O=C(NCCCc1ccccc1)c1cnc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is GFZFXTSERGSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-8-10-17(11-9-16)25-19-14-23-18(13-24-19)20(26)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,22,26)(H,24,25).
What are the key properties of 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide?
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).