5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide

C20H28N4O — CID 109230056

IUPAC5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(NCCCN(C)C)c1)c1cccc(C)c1
InChIInChI=1S/C20H28N4O/c1-5-24(19-9-6-8-16(2)12-19)20(25)17-13-18(15-21-14-17)22-10-7-11-23(3)4/h6,8-9,12-15,22H,5,7,10-11H2,1-4H3
InChIKeyUAOWKGWFECRVOU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.42
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide

5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109230056) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109230056
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(NCCCN(C)C)c1)c1cccc(C)c1
InChIInChI=1S/C20H28N4O/c1-5-24(19-9-6-8-16(2)12-19)20(25)17-13-18(15-21-14-17)22-10-7-11-23(3)4/h6,8-9,12-15,22H,5,7,10-11H2,1-4H3
InChIKeyUAOWKGWFECRVOU-UHFFFAOYSA-N
XLogP3.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.42
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

4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109208050
N-ethyl-5-[(4-methoxyphenyl)methylamino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109234564
5-(2,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109245667
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
3-N-(3-chlorophenyl)-5-N-ethyl-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109108801
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
3-N-(2,4-difluorophenyl)-5-N-ethyl-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109109045
N-ethyl-N-(3-hydroxyphenyl)-5-methylpyridine-3-carboxamide
CID 107736486
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109230056) is 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide is CCN(C(=O)c1cncc(NCCCN(C)C)c1)c1cccc(C)c1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is UAOWKGWFECRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-24(19-9-6-8-16(2)12-19)20(25)17-13-18(15-21-14-17)22-10-7-11-23(3)4/h6,8-9,12-15,22H,5,7,10-11H2,1-4H3.
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).