2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide

C20H18FN3O2 — CID 151119836

IUPAC2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccccc3F)c2)c(N)nc1C
InChIInChI=1S/C20H18FN3O2/c1-12-10-16(19(22)23-13(12)2)20(25)24-14-6-5-7-15(11-14)26-18-9-4-3-8-17(18)21/h3-11H,1-2H3,(H2,22,23)(H,24,25)
InChIKeyMRYIREVEWRCCFA-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.46
Rot. Bonds4

About 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide

2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 151119836) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID151119836
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccccc3F)c2)c(N)nc1C
InChIInChI=1S/C20H18FN3O2/c1-12-10-16(19(22)23-13(12)2)20(25)24-14-6-5-7-15(11-14)26-18-9-4-3-8-17(18)21/h3-11H,1-2H3,(H2,22,23)(H,24,25)
InChIKeyMRYIREVEWRCCFA-UHFFFAOYSA-N
XLogP4.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide (CID 151119836) is 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccccc3F)c2)c(N)nc1C.
What is the InChIKey of 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is MRYIREVEWRCCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12-10-16(19(22)23-13(12)2)20(25)24-14-6-5-7-15(11-14)26-18-9-4-3-8-17(18)21/h3-11H,1-2H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide?
2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-fluorophenoxy)phenyl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 151119836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).