N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

C22H27FN2O2 — CID 58368123

IUPACN-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C22H27FN2O2/c1-15(18-8-4-3-5-9-18)25-22(26)20-11-12-21(24-16(20)2)27-14-17-7-6-10-19(23)13-17/h6-7,10-13,15,18H,3-5,8-9,14H2,1-2H3,(H,25,26)/t15-/m1/s1
InChIKeyJMFQLSHHDVNOMT-OAHLLOKOSA-N
MW370.47 g/mol
LogP4.81
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide

N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (PubChem CID 58368123) 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]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
PubChem CID58368123
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide
SMILESCc1nc(OCc2cccc(F)c2)ccc1C(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C22H27FN2O2/c1-15(18-8-4-3-5-9-18)25-22(26)20-11-12-21(24-16(20)2)27-14-17-7-6-10-19(23)13-17/h6-7,10-13,15,18H,3-5,8-9,14H2,1-2H3,(H,25,26)/t15-/m1/s1
InChIKeyJMFQLSHHDVNOMT-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide (CID 58368123) is N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide is Cc1nc(OCc2cccc(F)c2)ccc1C(=O)N[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
The InChIKey is JMFQLSHHDVNOMT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15(18-8-4-3-5-9-18)25-22(26)20-11-12-21(24-16(20)2)27-14-17-7-6-10-19(23)13-17/h6-7,10-13,15,18H,3-5,8-9,14H2,1-2H3,(H,25,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-methylpyridine-3-carboxamide?
N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-2-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]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58368123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).