N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

C20H31N3O2 — CID 118772120

IUPACN-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCN(C3CCCCC3)C2)cn1C
InChIInChI=1S/C20H31N3O2/c1-15-11-19(24)18(14-22(15)2)20(25)21-12-16-7-6-10-23(13-16)17-8-4-3-5-9-17/h11,14,16-17H,3-10,12-13H2,1-2H3,(H,21,25)
InChIKeyFHGKKNUGTKVEKB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.47
Rot. Bonds4

About N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide

N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 118772120) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID118772120
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCN(C3CCCCC3)C2)cn1C
InChIInChI=1S/C20H31N3O2/c1-15-11-19(24)18(14-22(15)2)20(25)21-12-16-7-6-10-23(13-16)17-8-4-3-5-9-17/h11,14,16-17H,3-10,12-13H2,1-2H3,(H,21,25)
InChIKeyFHGKKNUGTKVEKB-UHFFFAOYSA-N
XLogP2.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 118772120) is N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCCN(C3CCCCC3)C2)cn1C.
What is the InChIKey of N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is FHGKKNUGTKVEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-11-19(24)18(14-22(15)2)20(25)21-12-16-7-6-10-23(13-16)17-8-4-3-5-9-17/h11,14,16-17H,3-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide?
N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpiperidin-3-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 118772120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).