N-(6-chloro-2-pyridinyl)-2-propoxyacetamide

C10H13ClN2O2 — CID 103739833

IUPACN-(6-chloro-2-pyridinyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-2-6-15-7-10(14)13-9-5-3-4-8(11)12-9/h3-5H,2,6-7H2,1H3,(H,12,13,14)
InChIKeySLFDQNQORBMGKI-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.10
Rot. Bonds5

About N-(6-chloro-2-pyridinyl)-2-propoxyacetamide

N-(6-chloro-2-pyridinyl)-2-propoxyacetamide (PubChem CID 103739833) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-propoxyacetamide
PubChem CID103739833
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(6-chloro-2-pyridinyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-2-6-15-7-10(14)13-9-5-3-4-8(11)12-9/h3-5H,2,6-7H2,1H3,(H,12,13,14)
InChIKeySLFDQNQORBMGKI-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
CID 103213848
2-[(6-chloro-2-pyridinyl)amino]-N-ethylacetamide
CID 63588208
(2S)-2-amino-N-(6-chloro-2-pyridinyl)pentanamide
CID 107570362
N-(6-bromo-2-pyridinyl)-3-propoxypropanamide
CID 62717521
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
CID 103747540
2-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 1431338
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-propoxyacetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-propoxyacetamide (CID 103739833) is N-(6-chloro-2-pyridinyl)-2-propoxyacetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-propoxyacetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-propoxyacetamide is CCCOCC(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-propoxyacetamide?
The InChIKey is SLFDQNQORBMGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-6-15-7-10(14)13-9-5-3-4-8(11)12-9/h3-5H,2,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-propoxyacetamide?
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide has a molecular weight of 228.68 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-propoxyacetamide is sourced from PubChem (CID 103739833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).