N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

C21H25FN2O2 — CID 58368063

IUPACN-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O2/c1-15(17-7-3-2-4-8-17)24-21(25)18-10-11-20(23-13-18)26-14-16-6-5-9-19(22)12-16/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyCTQRPHPMMNDRFL-HNNXBMFYSA-N
MW356.44 g/mol
LogP4.50
Rot. Bonds6

About N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 58368063) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID58368063
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1
InChIInChI=1S/C21H25FN2O2/c1-15(17-7-3-2-4-8-17)24-21(25)18-10-11-20(23-13-18)26-14-16-6-5-9-19(22)12-16/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyCTQRPHPMMNDRFL-HNNXBMFYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 58368063) is N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is CTQRPHPMMNDRFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15(17-7-3-2-4-8-17)24-21(25)18-10-11-20(23-13-18)26-14-16-6-5-9-19(22)12-16/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 58368063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).