4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide

C22H24N4O — CID 109213610

IUPAC4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-26(2)20-10-8-18(9-11-20)25-19-13-15-23-21(16-19)22(27)24-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyKMANTRWARQJNJP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.86
Rot. Bonds7

About 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide

4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109213610) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109213610
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)NCCc3ccccc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-26(2)20-10-8-18(9-11-20)25-19-13-15-23-21(16-19)22(27)24-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyKMANTRWARQJNJP-UHFFFAOYSA-N
XLogP3.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216656
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-(4-ethylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214135
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109213610) is 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide is CN(C)c1ccc(Nc2ccnc(C(=O)NCCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is KMANTRWARQJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26(2)20-10-8-18(9-11-20)25-19-13-15-23-21(16-19)22(27)24-14-12-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide?
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).