N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide

C16H28N4O — CID 109154268

IUPACN-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCCCN(C)C)nc1
InChIInChI=1S/C16H28N4O/c1-5-6-12-20(4)16(21)14-8-9-15(18-13-14)17-10-7-11-19(2)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,18)
InChIKeyQSHIECRKUQBQKC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.32
Rot. Bonds9

About N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide

N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide (PubChem CID 109154268) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
PubChem CID109154268
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NCCCN(C)C)nc1
InChIInChI=1S/C16H28N4O/c1-5-6-12-20(4)16(21)14-8-9-15(18-13-14)17-10-7-11-19(2)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,18)
InChIKeyQSHIECRKUQBQKC-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

N-[3-(dimethylamino)propyl]-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 55226022
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158989
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
6-[2-(dimethylamino)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109153775
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
N-[3-(dimethylamino)propyl]-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 102996750
6-(ethylamino)-N-(3-methoxypropyl)-N-methylpyridine-3-carboxamide
CID 63009314

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide (CID 109154268) is N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(NCCCN(C)C)nc1.
What is the InChIKey of N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is QSHIECRKUQBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-6-12-20(4)16(21)14-8-9-15(18-13-14)17-10-7-11-19(2)3/h8-9,13H,5-7,10-12H2,1-4H3,(H,17,18).
What are the key properties of N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide?
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109154268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).