3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide

C21H19F2N3O2 — CID 170346648

IUPAC3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)c(-c2cc(-c3cc(F)cc(F)c3)nc(C(N)=O)c2N)c1C
InChIInChI=1S/C21H19F2N3O2/c1-10-4-5-17(28-3)11(2)18(10)15-9-16(26-20(19(15)24)21(25)27)12-6-13(22)8-14(23)7-12/h4-9H,24H2,1-3H3,(H2,25,27)
InChIKeyZLNHPVDMIQIDSG-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.00
Rot. Bonds4

About 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide

3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 170346648) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID170346648
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)c(-c2cc(-c3cc(F)cc(F)c3)nc(C(N)=O)c2N)c1C
InChIInChI=1S/C21H19F2N3O2/c1-10-4-5-17(28-3)11(2)18(10)15-9-16(26-20(19(15)24)21(25)27)12-6-13(22)8-14(23)7-12/h4-9H,24H2,1-3H3,(H2,25,27)
InChIKeyZLNHPVDMIQIDSG-UHFFFAOYSA-N
XLogP4.00
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide (CID 170346648) is 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide is COc1ccc(C)c(-c2cc(-c3cc(F)cc(F)c3)nc(C(N)=O)c2N)c1C.
What is the InChIKey of 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is ZLNHPVDMIQIDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-10-4-5-17(28-3)11(2)18(10)15-9-16(26-20(19(15)24)21(25)27)12-6-13(22)8-14(23)7-12/h4-9H,24H2,1-3H3,(H2,25,27).
What are the key properties of 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide?
3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3,5-difluorophenyl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 170346648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).