4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide

C23H19FN2O2 — CID 160632073

IUPAC4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide
SMILESCC#CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3c2-c2ccccc2C3)CC1
InChIInChI=1S/C23H19FN2O2/c1-2-5-20(27)26-10-8-14(9-11-26)21-19(24)13-18(23(25)28)17-12-15-6-3-4-7-16(15)22(17)21/h3-4,6-8,13H,9-12H2,1H3,(H2,25,28)
InChIKeyRIATWAFBJNALSC-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.13
Rot. Bonds2

About 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide

4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide (PubChem CID 160632073) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide
PubChem CID160632073
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide
SMILESCC#CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3c2-c2ccccc2C3)CC1
InChIInChI=1S/C23H19FN2O2/c1-2-5-20(27)26-10-8-14(9-11-26)21-19(24)13-18(23(25)28)17-12-15-6-3-4-7-16(15)22(17)21/h3-4,6-8,13H,9-12H2,1H3,(H2,25,28)
InChIKeyRIATWAFBJNALSC-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide?
The IUPAC name of 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide (CID 160632073) is 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide.
What is the SMILES notation for 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide?
The canonical SMILES for 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide is CC#CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3c2-c2ccccc2C3)CC1.
What is the InChIKey of 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide?
The InChIKey is RIATWAFBJNALSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-2-5-20(27)26-10-8-14(9-11-26)21-19(24)13-18(23(25)28)17-12-15-6-3-4-7-16(15)22(17)21/h3-4,6-8,13H,9-12H2,1H3,(H2,25,28).
What are the key properties of 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide?
4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide is sourced from PubChem (CID 160632073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).