N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide

C13H17ClN2O2 — CID 103745081

IUPACN-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cnccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-6-7-15-9-12(11)16-13(17)5-4-10-3-1-2-8-18-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyADKVELLSBPSXHD-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.02
Rot. Bonds4

About N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide

N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide (PubChem CID 103745081) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide
PubChem CID103745081
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cnccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-6-7-15-9-12(11)16-13(17)5-4-10-3-1-2-8-18-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyADKVELLSBPSXHD-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
CID 104819846
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide (CID 103745081) is N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide?
The InChIKey is ADKVELLSBPSXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-6-7-15-9-12(11)16-13(17)5-4-10-3-1-2-8-18-10/h6-7,9-10H,1-5,8H2,(H,16,17).
What are the key properties of N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide?
N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide has a molecular weight of 268.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 103745081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).