2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

C23H25N3O2 — CID 109172746

IUPAC2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)26-22-15-19(11-12-24-22)23(27)25-13-10-18-6-4-5-7-21(18)28-3/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNFASNCNPCQNOJB-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.42
Rot. Bonds7

About 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172746) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172746
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)26-22-15-19(11-12-24-22)23(27)25-13-10-18-6-4-5-7-21(18)28-3/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyNFASNCNPCQNOJB-UHFFFAOYSA-N
XLogP4.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172748
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768
2-(4-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172763
N-(3,4-dimethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172803
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051
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
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109172746) is 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccccc1CCNC(=O)c1ccnc(Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is NFASNCNPCQNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-9-20(14-17(16)2)26-22-15-19(11-12-24-22)23(27)25-13-10-18-6-4-5-7-21(18)28-3/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).