N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide

C14H19ClN2O2 — CID 166078736

IUPACN-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(c1cc(Cl)ncc1C)C1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-3-14(18)17(11-4-6-19-7-5-11)12-8-13(15)16-9-10(12)2/h8-9,11H,3-7H2,1-2H3
InChIKeyIQLUIMIYWRWAKM-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.97
Rot. Bonds3

About N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide

N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide (PubChem CID 166078736) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide
PubChem CID166078736
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(c1cc(Cl)ncc1C)C1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-3-14(18)17(11-4-6-19-7-5-11)12-8-13(15)16-9-10(12)2/h8-9,11H,3-7H2,1-2H3
InChIKeyIQLUIMIYWRWAKM-UHFFFAOYSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide?
The IUPAC name of N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide (CID 166078736) is N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide is CCC(=O)N(c1cc(Cl)ncc1C)C1CCOCC1.
What is the InChIKey of N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide?
The InChIKey is IQLUIMIYWRWAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-14(18)17(11-4-6-19-7-5-11)12-8-13(15)16-9-10(12)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide?
N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide has a molecular weight of 282.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-4-pyridinyl)-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 166078736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).