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

C23H26N4O2 — CID 109172767

IUPAC2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-27(2)20-10-8-19(9-11-20)26-22-16-18(13-14-24-22)23(28)25-15-12-17-6-4-5-7-21(17)29-3/h4-11,13-14,16H,12,15H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyAJZMRHNDDZJXIQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.87
Rot. Bonds8

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

2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172767) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172767
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-27(2)20-10-8-19(9-11-20)26-22-16-18(13-14-24-22)23(28)25-15-12-17-6-4-5-7-21(17)29-3/h4-11,13-14,16H,12,15H2,1-3H3,(H,24,26)(H,25,28)
InChIKeyAJZMRHNDDZJXIQ-UHFFFAOYSA-N
XLogP3.87
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746
2-(4-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172763
6-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351274
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768
2-(2,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172748
2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172735

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109172767) is 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccccc1CCNC(=O)c1ccnc(Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is AJZMRHNDDZJXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(2)20-10-8-19(9-11-20)26-22-16-18(13-14-24-22)23(28)25-15-12-17-6-4-5-7-21(17)29-3/h4-11,13-14,16H,12,15H2,1-3H3,(H,24,26)(H,25,28).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).