2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide

C23H26N4O — CID 109173170

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)NCCCc2ccccc2)ccn1
InChIInChI=1S/C23H26N4O/c1-27(17-12-20-9-14-24-15-10-20)22-18-21(11-16-25-22)23(28)26-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-11,14-16,18H,5,8,12-13,17H2,1H3,(H,26,28)
InChIKeyRONVUBXFZYDXCS-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.52
Rot. Bonds9

About 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 109173170) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
PubChem CID109173170
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)NCCCc2ccccc2)ccn1
InChIInChI=1S/C23H26N4O/c1-27(17-12-20-9-14-24-15-10-20)22-18-21(11-16-25-22)23(28)26-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-11,14-16,18H,5,8,12-13,17H2,1H3,(H,26,28)
InChIKeyRONVUBXFZYDXCS-UHFFFAOYSA-N
XLogP3.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-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

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109173178
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
2-(diethylamino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174754
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
4-N-methyl-6-N-(3-phenylpropyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861804
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109173218

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide (CID 109173170) is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide is CN(CCc1ccncc1)c1cc(C(=O)NCCCc2ccccc2)ccn1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is RONVUBXFZYDXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-27(17-12-20-9-14-24-15-10-20)22-18-21(11-16-25-22)23(28)26-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-11,14-16,18H,5,8,12-13,17H2,1H3,(H,26,28).
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide?
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).