N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide

C19H17ClN4O3 — CID 6498611

IUPACN-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1cnccn1
InChIInChI=1S/C19H17ClN4O3/c20-14-4-1-3-13(11-14)16-5-6-17(27-16)19(26)24-8-2-7-23-18(25)15-12-21-9-10-22-15/h1,3-6,9-12H,2,7-8H2,(H,23,25)(H,24,26)
InChIKeyMCVSJUAXUFMXEP-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.94
Rot. Bonds7

About N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide

N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498611) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID6498611
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1cnccn1
InChIInChI=1S/C19H17ClN4O3/c20-14-4-1-3-13(11-14)16-5-6-17(27-16)19(26)24-8-2-7-23-18(25)15-12-21-9-10-22-15/h1,3-6,9-12H,2,7-8H2,(H,23,25)(H,24,26)
InChIKeyMCVSJUAXUFMXEP-UHFFFAOYSA-N
XLogP2.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.94
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-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide (CID 6498611) is N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide is O=C(NCCCNC(=O)c1ccc(-c2cccc(Cl)c2)o1)c1cnccn1.
What is the InChIKey of N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is MCVSJUAXUFMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-14-4-1-3-13(11-14)16-5-6-17(27-16)19(26)24-8-2-7-23-18(25)15-12-21-9-10-22-15/h1,3-6,9-12H,2,7-8H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide?
N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).