5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C17H14F2N4O2 — CID 122539688

IUPAC5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)ncc2OCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C17H14F2N4O2/c1-23-8-11(6-22-23)14-5-15(17(20)24)21-7-16(14)25-9-10-2-12(18)4-13(19)3-10/h2-8H,9H2,1H3,(H2,20,24)
InChIKeyAPTNYNRWNQGPIC-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.44
Rot. Bonds5

About 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 122539688) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID122539688
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Name5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)ncc2OCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C17H14F2N4O2/c1-23-8-11(6-22-23)14-5-15(17(20)24)21-7-16(14)25-9-10-2-12(18)4-13(19)3-10/h2-8H,9H2,1H3,(H2,20,24)
InChIKeyAPTNYNRWNQGPIC-UHFFFAOYSA-N
XLogP2.44
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 122539688) is 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2cc(C(N)=O)ncc2OCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is APTNYNRWNQGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-23-8-11(6-22-23)14-5-15(17(20)24)21-7-16(14)25-9-10-2-12(18)4-13(19)3-10/h2-8H,9H2,1H3,(H2,20,24).
What are the key properties of 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 122539688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).