N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide

C11H20N2O — CID 3084450

IUPACN,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=CCCN(C)C1
InChIInChI=1S/C11H20N2O/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10/h7H,4-6,8-9H2,1-3H3
InChIKeyQELRLWHVJBVJOI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.12
Rot. Bonds3

About N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide

N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide (PubChem CID 3084450) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide
PubChem CID3084450
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=CCCN(C)C1
InChIInChI=1S/C11H20N2O/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10/h7H,4-6,8-9H2,1-3H3
InChIKeyQELRLWHVJBVJOI-UHFFFAOYSA-N
XLogP1.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide (CID 3084450) is N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide is CCN(CC)C(=O)C1=CCCN(C)C1.
What is the InChIKey of N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is QELRLWHVJBVJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10/h7H,4-6,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide?
N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 3084450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).