2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide

C11H15ClN2O2 — CID 61379626

IUPAC2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
SMILESCC(C)Oc1ncccc1NC(=O)C(C)Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(2)16-11-9(5-4-6-13-11)14-10(15)8(3)12/h4-8H,1-3H3,(H,14,15)
InChIKeyHHLMZMPZLWIAGL-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide

2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide (PubChem CID 61379626) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
PubChem CID61379626
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
SMILESCC(C)Oc1ncccc1NC(=O)C(C)Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(2)16-11-9(5-4-6-13-11)14-10(15)8(3)12/h4-8H,1-3H3,(H,14,15)
InChIKeyHHLMZMPZLWIAGL-UHFFFAOYSA-N
XLogP2.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.43
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

(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
2,6-dichloro-N-(2-propan-2-yloxy-3-pyridinyl)pyridine-4-carboxamide
CID 60793096
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
2,3-difluoro-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 62661805
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide?
The IUPAC name of 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide (CID 61379626) is 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide is CC(C)Oc1ncccc1NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide?
The InChIKey is HHLMZMPZLWIAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(2)16-11-9(5-4-6-13-11)14-10(15)8(3)12/h4-8H,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide?
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide has a molecular weight of 242.71 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide is sourced from PubChem (CID 61379626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).