5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide

C22H22FN3O — CID 109192183

IUPAC5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(Nc2ccc(C(=O)NCCc3ccccc3F)nc2)c1
InChIInChI=1S/C22H22FN3O/c1-15-7-8-16(2)21(13-15)26-18-9-10-20(25-14-18)22(27)24-12-11-17-5-3-4-6-19(17)23/h3-10,13-14,26H,11-12H2,1-2H3,(H,24,27)
InChIKeyYCSMNSHFZHNUCS-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.55
Rot. Bonds6

About 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide

5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192183) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192183
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C)c(Nc2ccc(C(=O)NCCc3ccccc3F)nc2)c1
InChIInChI=1S/C22H22FN3O/c1-15-7-8-16(2)21(13-15)26-18-9-10-20(25-14-18)22(27)24-12-11-17-5-3-4-6-19(17)23/h3-10,13-14,26H,11-12H2,1-2H3,(H,24,27)
InChIKeyYCSMNSHFZHNUCS-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192496
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
5-(2,5-dimethylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198055
5-(2,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188662
methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109192216
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109181620
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
5-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191218
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109192183) is 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(C)c(Nc2ccc(C(=O)NCCc3ccccc3F)nc2)c1.
What is the InChIKey of 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is YCSMNSHFZHNUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-7-8-16(2)21(13-15)26-18-9-10-20(25-14-18)22(27)24-12-11-17-5-3-4-6-19(17)23/h3-10,13-14,26H,11-12H2,1-2H3,(H,24,27).
What are the key properties of 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).