4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide

C17H17F2N3O3 — CID 66917646

IUPAC4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(F)c1Oc1ccnc(C(N)=O)c1
InChIInChI=1S/C17H17F2N3O3/c1-17(2,3)16(24)22-11-5-4-10(18)13(19)14(11)25-9-6-7-21-12(8-9)15(20)23/h4-8H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyRQXJTTWZOPSNNB-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.24
Rot. Bonds4

About 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide

4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide (PubChem CID 66917646) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide
PubChem CID66917646
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(F)c1Oc1ccnc(C(N)=O)c1
InChIInChI=1S/C17H17F2N3O3/c1-17(2,3)16(24)22-11-5-4-10(18)13(19)14(11)25-9-6-7-21-12(8-9)15(20)23/h4-8H,1-3H3,(H2,20,23)(H,22,24)
InChIKeyRQXJTTWZOPSNNB-UHFFFAOYSA-N
XLogP3.24
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide (CID 66917646) is 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide is CC(C)(C)C(=O)Nc1ccc(F)c(F)c1Oc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide?
The InChIKey is RQXJTTWZOPSNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-17(2,3)16(24)22-11-5-4-10(18)13(19)14(11)25-9-6-7-21-12(8-9)15(20)23/h4-8H,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide?
4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 66917646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).