N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide

C15H15ClN4O2 — CID 6498584

IUPACN-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O2/c16-12-4-2-11(3-5-12)14(21)19-6-1-7-20-15(22)13-10-17-8-9-18-13/h2-5,8-10H,1,6-7H2,(H,19,21)(H,20,22)
InChIKeyBWLMEVMMZQXGIN-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.68
Rot. Bonds6

About N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide

N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498584) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID6498584
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O2/c16-12-4-2-11(3-5-12)14(21)19-6-1-7-20-15(22)13-10-17-8-9-18-13/h2-5,8-10H,1,6-7H2,(H,19,21)(H,20,22)
InChIKeyBWLMEVMMZQXGIN-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

4-chloro-N-(6-chloropyridin-3-yl)benzamide
CID 4314115
5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
CID 10173396
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
N'-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazide
CID 754530
N-(3-acetylphenyl)pyrazine-2-carboxamide
CID 862105
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
4-chloro-N-(pyridin-3-yl)benzamide
CID 706178
N-(4-methylbenzyl)-2-pyrazinecarboxamide
CID 897112
4-Chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 587169
4-chloro-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 6881759
N-benzylpyrazine-2-carboxamide
CID 470909

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 6498584) is N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide is O=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is BWLMEVMMZQXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-12-4-2-11(3-5-12)14(21)19-6-1-7-20-15(22)13-10-17-8-9-18-13/h2-5,8-10H,1,6-7H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).