2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

C17H28N4O2 — CID 109096551

IUPAC2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C17H28N4O2/c1-13(2)9-11-19-17(23)15-8-5-7-14(20-15)16(22)18-10-6-12-21(3)4/h5,7-8,13H,6,9-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyJZXCBELALYUQJP-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.54
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide

2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (PubChem CID 109096551) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
PubChem CID109096551
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)NCCCN(C)C)n1
InChIInChI=1S/C17H28N4O2/c1-13(2)9-11-19-17(23)15-8-5-7-14(20-15)16(22)18-10-6-12-21(3)4/h5,7-8,13H,6,9-12H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyJZXCBELALYUQJP-UHFFFAOYSA-N
XLogP1.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.54
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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Related Compounds

6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109096578
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
2-N,6-N-bis[3-[acetyl(hydroxy)amino]propyl]pyridine-2,6-dicarboxamide
CID 13417375
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide (CID 109096551) is 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is CC(C)CCNC(=O)c1cccc(C(=O)NCCCN(C)C)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
The InChIKey is JZXCBELALYUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)9-11-19-17(23)15-8-5-7-14(20-15)16(22)18-10-6-12-21(3)4/h5,7-8,13H,6,9-12H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).