N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

C20H23FN2O2 — CID 58368249

IUPACN-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESCC1(C)CCC[C@@H]1NC(=O)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C20H23FN2O2/c1-20(2)10-4-7-17(20)23-19(24)15-8-9-18(22-12-15)25-13-14-5-3-6-16(21)11-14/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeySJVUAYZOUPWYMK-KRWDZBQOSA-N
MW342.41 g/mol
LogP4.11
Rot. Bonds5

About N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 58368249) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID58368249
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESCC1(C)CCC[C@@H]1NC(=O)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C20H23FN2O2/c1-20(2)10-4-7-17(20)23-19(24)15-8-9-18(22-12-15)25-13-14-5-3-6-16(21)11-14/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeySJVUAYZOUPWYMK-KRWDZBQOSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]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-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 58368249) is N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is CC1(C)CCC[C@@H]1NC(=O)c1ccc(OCc2cccc(F)c2)nc1.
What is the InChIKey of N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is SJVUAYZOUPWYMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-20(2)10-4-7-17(20)23-19(24)15-8-9-18(22-12-15)25-13-14-5-3-6-16(21)11-14/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethylcyclopentyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 58368249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).