4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide

C20H28N4O — CID 109208050

IUPAC4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCCCN(C)C)ccn1)c1cccc(C)c1
InChIInChI=1S/C20H28N4O/c1-5-24(18-9-6-8-16(2)14-18)20(25)19-15-17(10-12-22-19)21-11-7-13-23(3)4/h6,8-10,12,14-15H,5,7,11,13H2,1-4H3,(H,21,22)
InChIKeyKZSLYGQSEFUPRT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.42
Rot. Bonds8

About 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide

4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109208050) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109208050
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCCCN(C)C)ccn1)c1cccc(C)c1
InChIInChI=1S/C20H28N4O/c1-5-24(18-9-6-8-16(2)14-18)20(25)19-15-17(10-12-22-19)21-11-7-13-23(3)4/h6,8-10,12,14-15H,5,7,11,13H2,1-4H3,(H,21,22)
InChIKeyKZSLYGQSEFUPRT-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

N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214380
N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109211612
5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109230056
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233
2-N-ethyl-2-N-(3-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090530
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109208050) is 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide is CCN(C(=O)c1cc(NCCCN(C)C)ccn1)c1cccc(C)c1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is KZSLYGQSEFUPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-24(18-9-6-8-16(2)14-18)20(25)19-15-17(10-12-22-19)21-11-7-13-23(3)4/h6,8-10,12,14-15H,5,7,11,13H2,1-4H3,(H,21,22).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide?
4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-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 4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).