2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide

C14H14FN3O2 — CID 79150553

IUPAC2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide
SMILESCc1ccc(O)c(CNc2ccc(F)c(C(N)=O)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-8-2-5-13(19)12(18-8)7-17-9-3-4-11(15)10(6-9)14(16)20/h2-6,17,19H,7H2,1H3,(H2,16,20)
InChIKeyXKXRCDHGESHYSL-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.95
Rot. Bonds4

About 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide

2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide (PubChem CID 79150553) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide
PubChem CID79150553
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide
SMILESCc1ccc(O)c(CNc2ccc(F)c(C(N)=O)c2)n1
InChIInChI=1S/C14H14FN3O2/c1-8-2-5-13(19)12(18-8)7-17-9-3-4-11(15)10(6-9)14(16)20/h2-6,17,19H,7H2,1H3,(H2,16,20)
InChIKeyXKXRCDHGESHYSL-UHFFFAOYSA-N
XLogP1.95
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide?
The IUPAC name of 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide (CID 79150553) is 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide is Cc1ccc(O)c(CNc2ccc(F)c(C(N)=O)c2)n1.
What is the InChIKey of 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide?
The InChIKey is XKXRCDHGESHYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8-2-5-13(19)12(18-8)7-17-9-3-4-11(15)10(6-9)14(16)20/h2-6,17,19H,7H2,1H3,(H2,16,20).
What are the key properties of 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide?
2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide has a molecular weight of 275.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 79150553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).