N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

C21H20FN3O3 — CID 109160901

IUPACN-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-16-7-9-17(10-8-16)28-13-12-23-20-11-6-15(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyBDDDYGKJWGCVHJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.97
Rot. Bonds8

About N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (PubChem CID 109160901) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
PubChem CID109160901
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-16-7-9-17(10-8-16)28-13-12-23-20-11-6-15(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyBDDDYGKJWGCVHJ-UHFFFAOYSA-N
XLogP3.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.97
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

6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
N-(2-fluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158516
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006
5-(2-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrazine-2-carboxamide
CID 109287152
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
N-(2,3-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181665
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (CID 109160901) is N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is COc1ccc(OCCNc2ccc(C(=O)Nc3ccccc3F)cn2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The InChIKey is BDDDYGKJWGCVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-16-7-9-17(10-8-16)28-13-12-23-20-11-6-15(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109160901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).