N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide

C21H19F2N3O3 — CID 109216800

IUPACN-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C21H19F2N3O3/c1-28-16-3-5-17(6-4-16)29-11-10-24-15-8-9-25-20(13-15)21(27)26-19-7-2-14(22)12-18(19)23/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyBLDWXQFUCFOOTR-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.11
Rot. Bonds8

About N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide

N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide (PubChem CID 109216800) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
PubChem CID109216800
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1
InChIInChI=1S/C21H19F2N3O3/c1-28-16-3-5-17(6-4-16)29-11-10-24-15-8-9-25-20(13-15)21(27)26-19-7-2-14(22)12-18(19)23/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,27)
InChIKeyBLDWXQFUCFOOTR-UHFFFAOYSA-N
XLogP4.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216786
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109215578
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
4-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221968
N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206327
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220605

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide (CID 109216800) is N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide is COc1ccc(OCCNc2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
The InChIKey is BLDWXQFUCFOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-16-3-5-17(6-4-16)29-11-10-24-15-8-9-25-20(13-15)21(27)26-19-7-2-14(22)12-18(19)23/h2-9,12-13H,10-11H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109216800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).