N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide

C17H19N3O2 — CID 2986253

IUPACN-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-4-7-14(12-13)16(21)19-10-5-11-20-17(22)15-8-2-3-9-18-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGFHFMOYNWPOQAB-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.94
Rot. Bonds6

About N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide

N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide (PubChem CID 2986253) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
PubChem CID2986253
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-4-7-14(12-13)16(21)19-10-5-11-20-17(22)15-8-2-3-9-18-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGFHFMOYNWPOQAB-UHFFFAOYSA-N
XLogP1.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.94
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-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide (CID 2986253) is N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide?
The InChIKey is GFHFMOYNWPOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-4-7-14(12-13)16(21)19-10-5-11-20-17(22)15-8-2-3-9-18-15/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide?
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 2986253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).