N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

C20H23FN2O2 — CID 58368154

IUPACN-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C20H23FN2O2/c1-14-18(20(24)23-17-8-3-2-4-9-17)10-11-19(22-14)25-13-15-6-5-7-16(21)12-15/h5-7,10-12,17H,2-4,8-9,13H2,1H3,(H,23,24)
InChIKeyDHBUNNKCZVBXLM-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.17
Rot. Bonds5

About N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (PubChem CID 58368154) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
PubChem CID58368154
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C20H23FN2O2/c1-14-18(20(24)23-17-8-3-2-4-9-17)10-11-19(22-14)25-13-15-6-5-7-16(21)12-15/h5-7,10-12,17H,2-4,8-9,13H2,1H3,(H,23,24)
InChIKeyDHBUNNKCZVBXLM-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (CID 58368154) is N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is Cc1nc(OCc2cccc(F)c2)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The InChIKey is DHBUNNKCZVBXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-18(20(24)23-17-8-3-2-4-9-17)10-11-19(22-14)25-13-15-6-5-7-16(21)12-15/h5-7,10-12,17H,2-4,8-9,13H2,1H3,(H,23,24).
What are the key properties of N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58368154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).