N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide

C20H31N3O2 — CID 70750510

IUPACN,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C20H31N3O2/c1-21-15-17(9-10-18(21)24)19(25)22(2)16-20(11-5-3-6-12-20)23-13-7-4-8-14-23/h9-10,15H,3-8,11-14,16H2,1-2H3
InChIKeyIBMDQMMYLRMADL-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.65
Rot. Bonds4

About N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide

N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 70750510) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID70750510
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C20H31N3O2/c1-21-15-17(9-10-18(21)24)19(25)22(2)16-20(11-5-3-6-12-20)23-13-7-4-8-14-23/h9-10,15H,3-8,11-14,16H2,1-2H3
InChIKeyIBMDQMMYLRMADL-UHFFFAOYSA-N
XLogP2.65
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide (CID 70750510) is N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide is CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is IBMDQMMYLRMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-21-15-17(9-10-18(21)24)19(25)22(2)16-20(11-5-3-6-12-20)23-13-7-4-8-14-23/h9-10,15H,3-8,11-14,16H2,1-2H3.
What are the key properties of N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70750510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).