6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid

C19H19F2N3O4 — CID 11463454

IUPAC6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C19H19F2N3O4/c1-2-3-15(18(26)24-16-5-4-12(10-22-16)19(27)28)23-17(25)8-11-6-13(20)9-14(21)7-11/h4-7,9-10,15H,2-3,8H2,1H3,(H,23,25)(H,27,28)(H,22,24,26)
InChIKeyFMCJTJRSGYIHOS-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.52
Rot. Bonds8

About 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid

6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid (PubChem CID 11463454) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid
PubChem CID11463454
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C19H19F2N3O4/c1-2-3-15(18(26)24-16-5-4-12(10-22-16)19(27)28)23-17(25)8-11-6-13(20)9-14(21)7-11/h4-7,9-10,15H,2-3,8H2,1H3,(H,23,25)(H,27,28)(H,22,24,26)
InChIKeyFMCJTJRSGYIHOS-UHFFFAOYSA-N
XLogP2.52
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid (CID 11463454) is 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid?
The InChIKey is FMCJTJRSGYIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-2-3-15(18(26)24-16-5-4-12(10-22-16)19(27)28)23-17(25)8-11-6-13(20)9-14(21)7-11/h4-7,9-10,15H,2-3,8H2,1H3,(H,23,25)(H,27,28)(H,22,24,26).
What are the key properties of 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid?
6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid has a molecular weight of 391.37 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11463454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).