4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide

C11H15ClN2O2 — CID 139378336

IUPAC4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide
SMILESCOc1cccc(N(C)C(=O)CCCCl)n1
InChIInChI=1S/C11H15ClN2O2/c1-14(11(15)7-4-8-12)9-5-3-6-10(13-9)16-2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyFMVUJAAMGMSKSN-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.07
Rot. Bonds5

About 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide

4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide (PubChem CID 139378336) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide
PubChem CID139378336
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide
SMILESCOc1cccc(N(C)C(=O)CCCCl)n1
InChIInChI=1S/C11H15ClN2O2/c1-14(11(15)7-4-8-12)9-5-3-6-10(13-9)16-2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyFMVUJAAMGMSKSN-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide?
The IUPAC name of 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide (CID 139378336) is 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide.
What is the SMILES notation for 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide?
The canonical SMILES for 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide is COc1cccc(N(C)C(=O)CCCCl)n1.
What is the InChIKey of 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide?
The InChIKey is FMVUJAAMGMSKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(11(15)7-4-8-12)9-5-3-6-10(13-9)16-2/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide?
4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide has a molecular weight of 242.71 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-2-pyridinyl)-N-methylbutanamide is sourced from PubChem (CID 139378336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).