6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid

C16H13FN4O3 — CID 162646443

IUPAC6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid
SMILESCC(=O)Nc1cc(Nc2ccc(F)nc2)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C16H13FN4O3/c1-8(22)19-10-4-12(20-9-2-3-15(17)18-7-9)11-6-14(16(23)24)21-13(11)5-10/h2-7,20-21H,1H3,(H,19,22)(H,23,24)
InChIKeyBGSDTRBYNPAVOB-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.10
Rot. Bonds4

About 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid

6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid (PubChem CID 162646443) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid
PubChem CID162646443
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Name6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid
SMILESCC(=O)Nc1cc(Nc2ccc(F)nc2)c2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C16H13FN4O3/c1-8(22)19-10-4-12(20-9-2-3-15(17)18-7-9)11-6-14(16(23)24)21-13(11)5-10/h2-7,20-21H,1H3,(H,19,22)(H,23,24)
InChIKeyBGSDTRBYNPAVOB-UHFFFAOYSA-N
XLogP3.10
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid (CID 162646443) is 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid is CC(=O)Nc1cc(Nc2ccc(F)nc2)c2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid?
The InChIKey is BGSDTRBYNPAVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-8(22)19-10-4-12(20-9-2-3-15(17)18-7-9)11-6-14(16(23)24)21-13(11)5-10/h2-7,20-21H,1H3,(H,19,22)(H,23,24).
What are the key properties of 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid?
6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid has a molecular weight of 328.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-4-[(6-fluoro-3-pyridinyl)amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 162646443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).