[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

C22H18N2O3 — CID 31172509

IUPAC[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C22H18N2O3/c1-14-10-11-15(12-23-14)22(26)27-13-20(25)24-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13H2,1H3,(H,24,25)
InChIKeyNKLIUNYMEFHZFV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.43
Rot. Bonds4

About [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 31172509) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID31172509
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2c3ccccc3-c3ccccc32)cn1
InChIInChI=1S/C22H18N2O3/c1-14-10-11-15(12-23-14)22(26)27-13-20(25)24-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13H2,1H3,(H,24,25)
InChIKeyNKLIUNYMEFHZFV-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 31172509) is [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OCC(=O)NC2c3ccccc3-c3ccccc32)cn1.
What is the InChIKey of [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is NKLIUNYMEFHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-10-11-15(12-23-14)22(26)27-13-20(25)24-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13H2,1H3,(H,24,25).
What are the key properties of [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 31172509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).