N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide

C12H16ClN3O2 — CID 104819846

IUPACN-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c13-10-7-14-8-11(15-10)16-12(17)5-4-9-3-1-2-6-18-9/h7-9H,1-6H2,(H,15,16,17)
InChIKeyTZEBMLDNUWSMHZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.42
Rot. Bonds4

About N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide

N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide (PubChem CID 104819846) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
PubChem CID104819846
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)Nc1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c13-10-7-14-8-11(15-10)16-12(17)5-4-9-3-1-2-6-18-9/h7-9H,1-6H2,(H,15,16,17)
InChIKeyTZEBMLDNUWSMHZ-UHFFFAOYSA-N
XLogP2.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloropyrazin-2-yl)-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-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
6-chloro-N-[2-(oxan-2-yl)ethyl]pyrazin-2-amine
CID 103990689
N-(4-chloro-3-pyridinyl)-3-(oxan-2-yl)propanamide
CID 103745081
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 113252056
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-(oxan-2-yl)propanamide
CID 63951171
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
2-[(2S)-oxan-2-yl]-N-pyrazin-2-ylacetamide
CID 97309242

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide (CID 104819846) is N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide?
The InChIKey is TZEBMLDNUWSMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-7-14-8-11(15-10)16-12(17)5-4-9-3-1-2-6-18-9/h7-9H,1-6H2,(H,15,16,17).
What are the key properties of N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide?
N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide has a molecular weight of 269.73 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 104819846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).