N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide

C23H27FN2O — CID 167701360

IUPACN-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc(C2CCCCC2)nc1)c1ccccc1F
InChIInChI=1S/C23H27FN2O/c24-20-11-4-5-12-22(20)26(23(27)19-9-6-10-19)16-17-13-14-21(25-15-17)18-7-2-1-3-8-18/h4-5,11-15,18-19H,1-3,6-10,16H2
InChIKeyOADYMAOQHRZODR-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.60
Rot. Bonds5

About N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide

N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide (PubChem CID 167701360) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
PubChem CID167701360
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC NameN-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc(C2CCCCC2)nc1)c1ccccc1F
InChIInChI=1S/C23H27FN2O/c24-20-11-4-5-12-22(20)26(23(27)19-9-6-10-19)16-17-13-14-21(25-15-17)18-7-2-1-3-8-18/h4-5,11-15,18-19H,1-3,6-10,16H2
InChIKeyOADYMAOQHRZODR-UHFFFAOYSA-N
XLogP5.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-cyano-5-fluoro-4-methylphenyl)sulfonyl-N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)azetidine-2-carboxamide
CID 167542516
N-[(5-cyclohexylpyrazin-2-yl)methyl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
CID 155590873
N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
CID 141090307
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
N-(2-fluorophenyl)-N-methylsulfonylcyclohexanecarboxamide
CID 10756566
4-[(6-cyclohexyl-3-pyridinyl)methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylmethoxybenzoic acid
CID 135241722
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
4-[(6-cyclohexyl-3-pyridinyl)methyl-[(2R)-1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 135257551
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
3-[3-[cyclohexanecarbonyl-[[4-(2-fluorophenyl)phenyl]methyl]amino]phenyl]prop-2-enoic acid
CID 126696973

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
The IUPAC name of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide (CID 167701360) is N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccc(C2CCCCC2)nc1)c1ccccc1F.
What is the InChIKey of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
The InChIKey is OADYMAOQHRZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c24-20-11-4-5-12-22(20)26(23(27)19-9-6-10-19)16-17-13-14-21(25-15-17)18-7-2-1-3-8-18/h4-5,11-15,18-19H,1-3,6-10,16H2.
What are the key properties of N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide?
N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide has a molecular weight of 366.48 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide is sourced from PubChem (CID 167701360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).