N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H23FN2O3 — CID 168938241

IUPACN-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1cc(C(O)C(C)(C)NC(=O)c2cnc3c(c2)CCC3)ccc1F
InChIInChI=1S/C20H23FN2O3/c1-20(2,18(24)13-7-8-15(21)17(10-13)26-3)23-19(25)14-9-12-5-4-6-16(12)22-11-14/h7-11,18,24H,4-6H2,1-3H3,(H,23,25)
InChIKeyLYKBUPIZXVPVNQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 168938241) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID168938241
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1cc(C(O)C(C)(C)NC(=O)c2cnc3c(c2)CCC3)ccc1F
InChIInChI=1S/C20H23FN2O3/c1-20(2,18(24)13-7-8-15(21)17(10-13)26-3)23-19(25)14-9-12-5-4-6-16(12)22-11-14/h7-11,18,24H,4-6H2,1-3H3,(H,23,25)
InChIKeyLYKBUPIZXVPVNQ-UHFFFAOYSA-N
XLogP2.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 168938241) is N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1cc(C(O)C(C)(C)NC(=O)c2cnc3c(c2)CCC3)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is LYKBUPIZXVPVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,18(24)13-7-8-15(21)17(10-13)26-3)23-19(25)14-9-12-5-4-6-16(12)22-11-14/h7-11,18,24H,4-6H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)-1-hydroxy-2-methylpropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 168938241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).