N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide

C20H16ClF2N3O — CID 109172559

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCc2ccccc2F)c1
InChIInChI=1S/C20H16ClF2N3O/c21-16-12-15(5-6-18(16)23)26-20(27)14-8-10-25-19(11-14)24-9-7-13-3-1-2-4-17(13)22/h1-6,8,10-12H,7,9H2,(H,24,25)(H,26,27)
InChIKeyIHKGIFNTAYTSTQ-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.92
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172559) has the molecular formula C20H16ClF2N3O and a molecular weight of 387.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172559
Molecular FormulaC20H16ClF2N3O
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCc2ccccc2F)c1
InChIInChI=1S/C20H16ClF2N3O/c21-16-12-15(5-6-18(16)23)26-20(27)14-8-10-25-19(11-14)24-9-7-13-3-1-2-4-17(13)22/h1-6,8,10-12H,7,9H2,(H,24,25)(H,26,27)
InChIKeyIHKGIFNTAYTSTQ-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214063
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172552
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide (CID 109172559) is N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCc2ccccc2F)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is IHKGIFNTAYTSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O/c21-16-12-15(5-6-18(16)23)26-20(27)14-8-10-25-19(11-14)24-9-7-13-3-1-2-4-17(13)22/h1-6,8,10-12H,7,9H2,(H,24,25)(H,26,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).