6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide

C17H19N3O2 — CID 6498616

IUPAC6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-6-14(7-4-12)16(21)18-9-10-19-17(22)15-8-5-13(2)20-11-15/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKOKHIEJZAVCLTJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.86
Rot. Bonds5

About 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide

6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 6498616) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID6498616
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H19N3O2/c1-12-3-6-14(7-4-12)16(21)18-9-10-19-17(22)15-8-5-13(2)20-11-15/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKOKHIEJZAVCLTJ-UHFFFAOYSA-N
XLogP1.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.86
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 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 6498616) is 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is KOKHIEJZAVCLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-3-6-14(7-4-12)16(21)18-9-10-19-17(22)15-8-5-13(2)20-11-15/h3-8,11H,9-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide?
6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 6498616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).