N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide

C12H20N2O — CID 134406574

IUPACN-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C1=CC=C(C)N(C)C1
InChIInChI=1S/C12H20N2O/c1-5-8-14(11(3)15)12-7-6-10(2)13(4)9-12/h6-7H,5,8-9H2,1-4H3
InChIKeyCCXLFNSJJDKSED-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.98
Rot. Bonds3

About N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide

N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide (PubChem CID 134406574) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide
PubChem CID134406574
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide
SMILESCCCN(C(C)=O)C1=CC=C(C)N(C)C1
InChIInChI=1S/C12H20N2O/c1-5-8-14(11(3)15)12-7-6-10(2)13(4)9-12/h6-7H,5,8-9H2,1-4H3
InChIKeyCCXLFNSJJDKSED-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide?
The IUPAC name of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide (CID 134406574) is N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide.
What is the SMILES notation for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide?
The canonical SMILES for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide is CCCN(C(C)=O)C1=CC=C(C)N(C)C1.
What is the InChIKey of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide?
The InChIKey is CCXLFNSJJDKSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-8-14(11(3)15)12-7-6-10(2)13(4)9-12/h6-7H,5,8-9H2,1-4H3.
What are the key properties of N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide?
N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide has a molecular weight of 208.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide is sourced from PubChem (CID 134406574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).