1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide

C22H27FN2O2 — CID 100771052

IUPAC1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1
InChIInChI=1S/C22H27FN2O2/c1-3-15-27-20-12-11-19(16(2)24-20)25-21(26)22(13-7-4-8-14-22)17-9-5-6-10-18(17)23/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3,(H,25,26)
InChIKeyBGILRWMEFDPYGD-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.16
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide

1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 100771052) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID100771052
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1
InChIInChI=1S/C22H27FN2O2/c1-3-15-27-20-12-11-19(16(2)24-20)25-21(26)22(13-7-4-8-14-22)17-9-5-6-10-18(17)23/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3,(H,25,26)
InChIKeyBGILRWMEFDPYGD-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771590
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770764
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100772730
1-ethoxy-4-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100777348
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541
N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663730

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (CID 100771052) is 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c(C)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is BGILRWMEFDPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-15-27-20-12-11-19(16(2)24-20)25-21(26)22(13-7-4-8-14-22)17-9-5-6-10-18(17)23/h5-6,9-12H,3-4,7-8,13-15H2,1-2H3,(H,25,26).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100771052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).