N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide

C22H22FN3O — CID 109214209

IUPACN-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H22FN3O/c1-15-4-3-5-16(2)21(15)26-22(27)20-14-19(11-13-25-20)24-12-10-17-6-8-18(23)9-7-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyGPDWFRQSTKBAIH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.74
Rot. Bonds6

About N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide

N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214209) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214209
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H22FN3O/c1-15-4-3-5-16(2)21(15)26-22(27)20-14-19(11-13-25-20)24-12-10-17-6-8-18(23)9-7-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyGPDWFRQSTKBAIH-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214230
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide (CID 109214209) is N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is GPDWFRQSTKBAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-15-4-3-5-16(2)21(15)26-22(27)20-14-19(11-13-25-20)24-12-10-17-6-8-18(23)9-7-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).