2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide

C10H13ClN2O — CID 62225327

IUPAC2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1cccnc1
InChIInChI=1S/C10H13ClN2O/c1-7(2)13-10(14)9(11)8-4-3-5-12-6-8/h3-7,9H,1-2H3,(H,13,14)
InChIKeyGTBFAARYGPDINN-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.89
Rot. Bonds3

About 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide

2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide (PubChem CID 62225327) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide
PubChem CID62225327
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1cccnc1
InChIInChI=1S/C10H13ClN2O/c1-7(2)13-10(14)9(11)8-4-3-5-12-6-8/h3-7,9H,1-2H3,(H,13,14)
InChIKeyGTBFAARYGPDINN-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-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
2-pyridin-3-ylpropanehydrazide
CID 116843938
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide (CID 62225327) is 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide is CC(C)NC(=O)C(Cl)c1cccnc1.
What is the InChIKey of 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide?
The InChIKey is GTBFAARYGPDINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(2)13-10(14)9(11)8-4-3-5-12-6-8/h3-7,9H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide?
2-chloro-N-propan-2-yl-2-pyridin-3-ylacetamide 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-propan-2-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 62225327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).