5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

C22H23FN4O — CID 109236480

IUPAC5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H23FN4O/c1-27(2)21-9-7-19(8-10-21)26-20-13-17(14-24-15-20)22(28)25-12-11-16-3-5-18(23)6-4-16/h3-10,13-15,26H,11-12H2,1-2H3,(H,25,28)
InChIKeyWEJJZXALNWHQAQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.00
Rot. Bonds7

About 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide

5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109236480) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109236480
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H23FN4O/c1-27(2)21-9-7-19(8-10-21)26-20-13-17(14-24-15-20)22(28)25-12-11-16-3-5-18(23)6-4-16/h3-10,13-15,26H,11-12H2,1-2H3,(H,25,28)
InChIKeyWEJJZXALNWHQAQ-UHFFFAOYSA-N
XLogP4.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.00
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

5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
5-(2-ethyl-6-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236445
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 109236480) is 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is CN(C)c1ccc(Nc2cncc(C(=O)NCCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is WEJJZXALNWHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-27(2)21-9-7-19(8-10-21)26-20-13-17(14-24-15-20)22(28)25-12-11-16-3-5-18(23)6-4-16/h3-10,13-15,26H,11-12H2,1-2H3,(H,25,28).
What are the key properties of 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide?
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109236480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).