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

C18H22N4O2 — CID 6498582

IUPACN-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H22N4O2/c1-13(2)14-4-6-15(7-5-14)17(23)21-8-3-9-22-18(24)16-12-19-10-11-20-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKNJLLUUXQFXINW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds7

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

N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498582) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID6498582
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C18H22N4O2/c1-13(2)14-4-6-15(7-5-14)17(23)21-8-3-9-22-18(24)16-12-19-10-11-20-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKNJLLUUXQFXINW-UHFFFAOYSA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 6498582) is N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide is CC(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is KNJLLUUXQFXINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)14-4-6-15(7-5-14)17(23)21-8-3-9-22-18(24)16-12-19-10-11-20-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-propan-2-ylbenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).