N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide

C20H25N3O2 — CID 6490888

IUPACN-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-10-8-15(9-11-16)18(24)22-13-6-14-23-19(25)17-7-4-5-12-21-17/h4-5,7-12H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZHCSVHHCAMXGRX-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds6

About N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide

N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 6490888) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide
PubChem CID6490888
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-10-8-15(9-11-16)18(24)22-13-6-14-23-19(25)17-7-4-5-12-21-17/h4-5,7-12H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZHCSVHHCAMXGRX-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide (CID 6490888) is N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide is CC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is ZHCSVHHCAMXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)16-10-8-15(9-11-16)18(24)22-13-6-14-23-19(25)17-7-4-5-12-21-17/h4-5,7-12H,6,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide?
N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylbenzoyl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 6490888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).