3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide

C10H13ClN2O2 — CID 62727393

IUPAC3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
SMILESCOc1ncccc1NC(=O)C(C)CCl
InChIInChI=1S/C10H13ClN2O2/c1-7(6-11)9(14)13-8-4-3-5-12-10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyLCNLHCQRVGZEEY-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.90
Rot. Bonds4

About 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide

3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide (PubChem CID 62727393) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
PubChem CID62727393
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
SMILESCOc1ncccc1NC(=O)C(C)CCl
InChIInChI=1S/C10H13ClN2O2/c1-7(6-11)9(14)13-8-4-3-5-12-10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyLCNLHCQRVGZEEY-UHFFFAOYSA-N
XLogP1.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
2-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 110204770

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide (CID 62727393) is 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide is COc1ncccc1NC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide?
The InChIKey is LCNLHCQRVGZEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7(6-11)9(14)13-8-4-3-5-12-10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide?
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide has a molecular weight of 228.68 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 62727393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).