6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide

C17H21N3O — CID 37315939

IUPAC6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c1-14-8-6-11-16(19-14)17(21)18-12-7-13-20(2)15-9-4-3-5-10-15/h3-6,8-11H,7,12-13H2,1-2H3,(H,18,21)
InChIKeyHTMLGVOBWSLGLD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.65
Rot. Bonds6

About 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide

6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide (PubChem CID 37315939) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
PubChem CID37315939
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCN(C)c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c1-14-8-6-11-16(19-14)17(21)18-12-7-13-20(2)15-9-4-3-5-10-15/h3-6,8-11H,7,12-13H2,1-2H3,(H,18,21)
InChIKeyHTMLGVOBWSLGLD-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
CID 27746775
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide (CID 37315939) is 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NCCCN(C)c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
The InChIKey is HTMLGVOBWSLGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-8-6-11-16(19-14)17(21)18-12-7-13-20(2)15-9-4-3-5-10-15/h3-6,8-11H,7,12-13H2,1-2H3,(H,18,21).
What are the key properties of 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide?
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 37315939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).