N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide

C22H27FN2O2 — CID 58368095

IUPACN-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C2CCCCC2)cnc1OCc1cccc(F)c1
InChIInChI=1S/C22H27FN2O2/c1-15-11-19(21(26)25-16(2)18-8-4-3-5-9-18)13-24-22(15)27-14-17-7-6-10-20(23)12-17/h6-7,10-13,16,18H,3-5,8-9,14H2,1-2H3,(H,25,26)/t16-/m1/s1
InChIKeyAZJWNSHSYTYCOQ-MRXNPFEDSA-N
MW370.47 g/mol
LogP4.81
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide (PubChem CID 58368095) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
PubChem CID58368095
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C2CCCCC2)cnc1OCc1cccc(F)c1
InChIInChI=1S/C22H27FN2O2/c1-15-11-19(21(26)25-16(2)18-8-4-3-5-9-18)13-24-22(15)27-14-17-7-6-10-20(23)12-17/h6-7,10-13,16,18H,3-5,8-9,14H2,1-2H3,(H,25,26)/t16-/m1/s1
InChIKeyAZJWNSHSYTYCOQ-MRXNPFEDSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.81
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
N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide
CID 58533707
5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
CID 58368118
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
N-[(1R)-1-(2,2-dimethyloxan-4-yl)ethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368082
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654
N-(1-cyclobutylethyl)-6-fluoropyridine-3-carboxamide
CID 115769021
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172
6-[(3-fluorophenyl)methoxy]-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 58368200
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide (CID 58368095) is N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide is Cc1cc(C(=O)N[C@H](C)C2CCCCC2)cnc1OCc1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide?
The InChIKey is AZJWNSHSYTYCOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15-11-19(21(26)25-16(2)18-8-4-3-5-9-18)13-24-22(15)27-14-17-7-6-10-20(23)12-17/h6-7,10-13,16,18H,3-5,8-9,14H2,1-2H3,(H,25,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 58368095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).