2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide

C21H20FN3O3 — CID 152636020

IUPAC2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
SMILESCCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)c(F)nc2N)cc1
InChIInChI=1S/C21H20FN3O3/c1-3-27-17-6-4-5-7-18(17)28-15-10-8-14(9-11-15)24-21(26)16-12-13(2)19(22)25-20(16)23/h4-12H,3H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyZENXUOVWEXLHBL-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.55
Rot. Bonds6

About 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide

2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide (PubChem CID 152636020) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
PubChem CID152636020
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide
SMILESCCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)c(F)nc2N)cc1
InChIInChI=1S/C21H20FN3O3/c1-3-27-17-6-4-5-7-18(17)28-15-10-8-14(9-11-15)24-21(26)16-12-13(2)19(22)25-20(16)23/h4-12H,3H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyZENXUOVWEXLHBL-UHFFFAOYSA-N
XLogP4.55
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
CID 152730865
6-amino-2-fluoro-N-[4-(4-fluorophenoxy)phenyl]-5-methylpyridine-3-carboxamide
CID 154264251
2-amino-6-fluoro-5-methyl-N-(3-pent-2-ynoxyphenyl)pyridine-3-carboxamide
CID 150267514
2-amino-6-fluoro-N-(3-hept-2-ynoxyphenyl)-5-methylpyridine-3-carboxamide
CID 150489878
2-amino-5-fluoro-6-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 154311592
2-amino-6-chloro-5-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 154191475
2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 151119836
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-amino-N-(3-but-2-ynoxy-2-fluorophenyl)-6-fluoro-5-methylpyridine-3-carboxamide
CID 150972391
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide (CID 152636020) is 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide is CCOc1ccccc1Oc1ccc(NC(=O)c2cc(C)c(F)nc2N)cc1.
What is the InChIKey of 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide?
The InChIKey is ZENXUOVWEXLHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-3-27-17-6-4-5-7-18(17)28-15-10-8-14(9-11-15)24-21(26)16-12-13(2)19(22)25-20(16)23/h4-12H,3H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide?
2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-ethoxyphenoxy)phenyl]-6-fluoro-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 152636020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).