2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide

C20H18FN3O3 — CID 58104507

IUPAC2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(Oc2cccc(CNC(=O)c3ccc(F)nc3N)c2)c1
InChIInChI=1S/C20H18FN3O3/c1-26-14-5-3-7-16(11-14)27-15-6-2-4-13(10-15)12-23-20(25)17-8-9-18(21)24-19(17)22/h2-11H,12H2,1H3,(H2,22,24)(H,23,25)
InChIKeyADVZBDDVCBQZCL-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.53
Rot. Bonds6

About 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide

2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58104507) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID58104507
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(Oc2cccc(CNC(=O)c3ccc(F)nc3N)c2)c1
InChIInChI=1S/C20H18FN3O3/c1-26-14-5-3-7-16(11-14)27-15-6-2-4-13(10-15)12-23-20(25)17-8-9-18(21)24-19(17)22/h2-11H,12H2,1H3,(H2,22,24)(H,23,25)
InChIKeyADVZBDDVCBQZCL-UHFFFAOYSA-N
XLogP3.53
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.53
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-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
2-amino-6-fluoro-N-[(3-hept-6-ynoxyphenyl)methyl]pyridine-3-carboxamide
CID 87176329
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
2-amino-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104552
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-amino-N-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
4-amino-2-(dimethylamino)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116670788
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 58104507) is 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide is COc1cccc(Oc2cccc(CNC(=O)c3ccc(F)nc3N)c2)c1.
What is the InChIKey of 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ADVZBDDVCBQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-14-5-3-7-16(11-14)27-15-6-2-4-13(10-15)12-23-20(25)17-8-9-18(21)24-19(17)22/h2-11H,12H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58104507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).