N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide

C10H18N2O — CID 131112297

IUPACN-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-9(2)11(3)10(13)12-7-5-4-6-8-12/h4-5,9H,6-8H2,1-3H3
InChIKeyYYXYDFFDYDAQJS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.71
Rot. Bonds1

About N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide

N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 131112297) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID131112297
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)N(C)C(=O)N1CC=CCC1
InChIInChI=1S/C10H18N2O/c1-9(2)11(3)10(13)12-7-5-4-6-8-12/h4-5,9H,6-8H2,1-3H3
InChIKeyYYXYDFFDYDAQJS-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 131112297) is N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)N(C)C(=O)N1CC=CCC1.
What is the InChIKey of N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YYXYDFFDYDAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)11(3)10(13)12-7-5-4-6-8-12/h4-5,9H,6-8H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 131112297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).