N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide

C20H24FN3O2 — CID 58533685

IUPACN-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C20H24FN3O2/c1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19/h7-12,14-15H,2-6,13H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyKRBWRJUILAWVIK-CQSZACIVSA-N
MW357.43 g/mol
LogP3.89
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide (PubChem CID 58533685) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide
PubChem CID58533685
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C20H24FN3O2/c1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19/h7-12,14-15H,2-6,13H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyKRBWRJUILAWVIK-CQSZACIVSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide (CID 58533685) is N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide?
The InChIKey is KRBWRJUILAWVIK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19/h7-12,14-15H,2-6,13H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 58533685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).