5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

C21H19ClFN3O — CID 109189383

IUPAC5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H19ClFN3O/c22-17-6-3-4-15(12-17)10-11-24-18-8-9-20(25-14-18)21(27)26-13-16-5-1-2-7-19(16)23/h1-9,12,14,24H,10-11,13H2,(H,26,27)
InChIKeyZJEMGUWUUYABIQ-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.46
Rot. Bonds7

About 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109189383) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109189383
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC Name5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H19ClFN3O/c22-17-6-3-4-15(12-17)10-11-24-18-8-9-20(25-14-18)21(27)26-13-16-5-1-2-7-19(16)23/h1-9,12,14,24H,10-11,13H2,(H,26,27)
InChIKeyZJEMGUWUUYABIQ-UHFFFAOYSA-N
XLogP4.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180508
N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109189383) is 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccccc1F)c1ccc(NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZJEMGUWUUYABIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c22-17-6-3-4-15(12-17)10-11-24-18-8-9-20(25-14-18)21(27)26-13-16-5-1-2-7-19(16)23/h1-9,12,14,24H,10-11,13H2,(H,26,27).
What are the key properties of 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 383.85 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109189383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).