N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide

C20H28N4O — CID 109186079

IUPACN-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccc(C(=O)NCCCN(C)C)nc1)c1cccc(C)c1
InChIInChI=1S/C20H28N4O/c1-5-24(17-9-6-8-16(2)14-17)18-10-11-19(22-15-18)20(25)21-12-7-13-23(3)4/h6,8-11,14-15H,5,7,12-13H2,1-4H3,(H,21,25)
InChIKeyDTJSVVBTDASEGV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.23
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide (PubChem CID 109186079) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
PubChem CID109186079
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccc(C(=O)NCCCN(C)C)nc1)c1cccc(C)c1
InChIInChI=1S/C20H28N4O/c1-5-24(17-9-6-8-16(2)14-17)18-10-11-19(22-15-18)20(25)21-12-7-13-23(3)4/h6,8-11,14-15H,5,7,12-13H2,1-4H3,(H,21,25)
InChIKeyDTJSVVBTDASEGV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(N-ethyl-3-methylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181194
N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162
5-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190248
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194856
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389
N-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
5-[butyl(methyl)amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109185972
5-(N-ethyl-3-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283898
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyrazine-2-carboxamide
CID 109294256
1-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113037388

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide (CID 109186079) is N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide is CCN(c1ccc(C(=O)NCCCN(C)C)nc1)c1cccc(C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The InChIKey is DTJSVVBTDASEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-24(17-9-6-8-16(2)14-17)18-10-11-19(22-15-18)20(25)21-12-7-13-23(3)4/h6,8-11,14-15H,5,7,12-13H2,1-4H3,(H,21,25).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).