N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide

C13H19N3O2 — CID 75386462

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CN(C)CCO2)c1
InChIInChI=1S/C13H19N3O2/c1-9-6-10(2)14-12(7-9)15-13(17)11-8-16(3)4-5-18-11/h6-7,11H,4-5,8H2,1-3H3,(H,14,15,17)
InChIKeyBADSGLKHIMBPNP-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.97
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide (PubChem CID 75386462) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide
PubChem CID75386462
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CN(C)CCO2)c1
InChIInChI=1S/C13H19N3O2/c1-9-6-10(2)14-12(7-9)15-13(17)11-8-16(3)4-5-18-11/h6-7,11H,4-5,8H2,1-3H3,(H,14,15,17)
InChIKeyBADSGLKHIMBPNP-UHFFFAOYSA-N
XLogP0.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide (CID 75386462) is N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide is Cc1cc(C)nc(NC(=O)C2CN(C)CCO2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
The InChIKey is BADSGLKHIMBPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-10(2)14-12(7-9)15-13(17)11-8-16(3)4-5-18-11/h6-7,11H,4-5,8H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75386462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).