2-chloro-N-(1-pyridin-2-ylethyl)propanamide

C10H13ClN2O — CID 43523379

IUPAC2-chloro-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(Cl)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C10H13ClN2O/c1-7(11)10(14)13-8(2)9-5-3-4-6-12-9/h3-8H,1-2H3,(H,13,14)
InChIKeyYUYBWMGMQUDCSY-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.89
Rot. Bonds3

About 2-chloro-N-(1-pyridin-2-ylethyl)propanamide

2-chloro-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 43523379) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-2-ylethyl)propanamide
PubChem CID43523379
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(Cl)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C10H13ClN2O/c1-7(11)10(14)13-8(2)9-5-3-4-6-12-9/h3-8H,1-2H3,(H,13,14)
InChIKeyYUYBWMGMQUDCSY-UHFFFAOYSA-N
XLogP1.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
CID 43523376
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407191
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)propanamide
CID 146102795
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-chloro-N-(1-pyridin-2-ylethyl)propanamide (CID 43523379) is 2-chloro-N-(1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-chloro-N-(1-pyridin-2-ylethyl)propanamide is CC(Cl)C(=O)NC(C)c1ccccn1.
What is the InChIKey of 2-chloro-N-(1-pyridin-2-ylethyl)propanamide?
The InChIKey is YUYBWMGMQUDCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(11)10(14)13-8(2)9-5-3-4-6-12-9/h3-8H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-(1-pyridin-2-ylethyl)propanamide?
2-chloro-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 212.68 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 43523379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).