N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide

C20H31N3O3 — CID 136517955

IUPACN-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide
SMILESCn1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cccc1=O
InChIInChI=1S/C20H31N3O3/c1-19(2)15-23(12-13-26-19)20(10-5-4-6-11-20)14-21-18(25)16-8-7-9-17(24)22(16)3/h7-9H,4-6,10-15H2,1-3H3,(H,21,25)
InChIKeyPMOWFPDBAGFQGN-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.93
Rot. Bonds4

About N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide

N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide (PubChem CID 136517955) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide
PubChem CID136517955
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide
SMILESCn1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cccc1=O
InChIInChI=1S/C20H31N3O3/c1-19(2)15-23(12-13-26-19)20(10-5-4-6-11-20)14-21-18(25)16-8-7-9-17(24)22(16)3/h7-9H,4-6,10-15H2,1-3H3,(H,21,25)
InChIKeyPMOWFPDBAGFQGN-UHFFFAOYSA-N
XLogP1.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide?
The IUPAC name of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide (CID 136517955) is N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide?
The canonical SMILES for N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide is Cn1c(C(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)cccc1=O.
What is the InChIKey of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide?
The InChIKey is PMOWFPDBAGFQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-19(2)15-23(12-13-26-19)20(10-5-4-6-11-20)14-21-18(25)16-8-7-9-17(24)22(16)3/h7-9H,4-6,10-15H2,1-3H3,(H,21,25).
What are the key properties of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide?
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 136517955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).