2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide

C19H15ClFN3O2 — CID 66843564

IUPAC2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
SMILESNc1nc(F)ccc1C(=O)NCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-15-3-1-2-4-16(15)26-13-7-5-12(6-8-13)11-23-19(25)14-9-10-17(21)24-18(14)22/h1-10H,11H2,(H2,22,24)(H,23,25)
InChIKeyFLEQFDUMYXWTEN-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.18
Rot. Bonds5

About 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide

2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide (PubChem CID 66843564) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
PubChem CID66843564
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
SMILESNc1nc(F)ccc1C(=O)NCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClFN3O2/c20-15-3-1-2-4-16(15)26-13-7-5-12(6-8-13)11-23-19(25)14-9-10-17(21)24-18(14)22/h1-10H,11H2,(H2,22,24)(H,23,25)
InChIKeyFLEQFDUMYXWTEN-UHFFFAOYSA-N
XLogP4.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-6-fluoro-N-[[4-(3-pentan-3-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843737
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369
2,6-diamino-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843734
2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843992
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[4-[2-(2,2-dimethylpropyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843441
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
CID 46649852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide (CID 66843564) is 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide is Nc1nc(F)ccc1C(=O)NCc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is FLEQFDUMYXWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-3-1-2-4-16(15)26-13-7-5-12(6-8-13)11-23-19(25)14-9-10-17(21)24-18(14)22/h1-10H,11H2,(H2,22,24)(H,23,25).
What are the key properties of 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide?
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 66843564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).