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

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Related Compounds

N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368103
N-(1-cyclopropylethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 76736087
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
N-cyclobutyl-6-[(3-methylphenyl)methoxy]pyridine-3-carboxamide
CID 58368099
6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368082
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
N-(2-amino-2-oxoethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 10286337
6-[(3-fluorophenyl)methoxy]-N-[1-(iodoamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 87552135
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341

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).