2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid

C23H20N2O4 — CID 22569036

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C23H20N2O4/c1-13-11-14(2)24-21(20(13)22(26)27)25-23(28)29-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-11,19H,12H2,1-2H3,(H,26,27)(H,24,25,28)
InChIKeyDSWPXBSMAWYGTH-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.76
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 22569036) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID22569036
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C23H20N2O4/c1-13-11-14(2)24-21(20(13)22(26)27)25-23(28)29-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-11,19H,12H2,1-2H3,(H,26,27)(H,24,25,28)
InChIKeyDSWPXBSMAWYGTH-UHFFFAOYSA-N
XLogP4.76
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid (CID 22569036) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is DSWPXBSMAWYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-13-11-14(2)24-21(20(13)22(26)27)25-23(28)29-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-11,19H,12H2,1-2H3,(H,26,27)(H,24,25,28).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 22569036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).