5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C16H28N4O — CID 109185972

IUPAC5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCCCN(C)C)nc1
InChIInChI=1S/C16H28N4O/c1-5-6-12-20(4)14-8-9-15(18-13-14)16(21)17-10-7-11-19(2)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,21)
InChIKeyQCYCJEHNTHONEU-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.00
Rot. Bonds9

About 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109185972) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109185972
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCCCN(C)C)nc1
InChIInChI=1S/C16H28N4O/c1-5-6-12-20(4)14-8-9-15(18-13-14)16(21)17-10-7-11-19(2)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,21)
InChIKeyQCYCJEHNTHONEU-UHFFFAOYSA-N
XLogP2.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109195719
5-[butyl(methyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179517
N-tert-butyl-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109195052
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185688
5-[butyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109196048
5-[butyl(methyl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109196077
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109186079
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
5-[butyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109196079
N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide
CID 154026042
N-[5-(dimethylamino)pentyl]-5-(123I)iodopyridine-2-carboxamide
CID 154026036

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109185972) is 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CCCCN(C)c1ccc(C(=O)NCCCN(C)C)nc1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is QCYCJEHNTHONEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-6-12-20(4)14-8-9-15(18-13-14)16(21)17-10-7-11-19(2)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,21).
What are the key properties of 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109185972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).