N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

C26H31F2N3O2 — CID 46044809

IUPACN-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C26H31F2N3O2/c1-17-8-10-22(25(32)30(2)20-6-4-3-5-7-20)24(29-17)18-12-14-31(15-13-18)26(33)21-11-9-19(27)16-23(21)28/h8-11,16,18,20H,3-7,12-15H2,1-2H3
InChIKeyVHHKLWCCJIMXSO-UHFFFAOYSA-N
MW455.55 g/mol
LogP5.09
Rot. Bonds4

About N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 46044809) has the molecular formula C26H31F2N3O2 and a molecular weight of 455.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID46044809
Molecular FormulaC26H31F2N3O2
Molecular Weight455.55 g/mol
Exact Mass455.24
IUPAC NameN-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C26H31F2N3O2/c1-17-8-10-22(25(32)30(2)20-6-4-3-5-7-20)24(29-17)18-12-14-31(15-13-18)26(33)21-11-9-19(27)16-23(21)28/h8-11,16,18,20H,3-7,12-15H2,1-2H3
InChIKeyVHHKLWCCJIMXSO-UHFFFAOYSA-N
XLogP5.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (CID 46044809) is N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is VHHKLWCCJIMXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O2/c1-17-8-10-22(25(32)30(2)20-6-4-3-5-7-20)24(29-17)18-12-14-31(15-13-18)26(33)21-11-9-19(27)16-23(21)28/h8-11,16,18,20H,3-7,12-15H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 455.55 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 46044809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).