3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide

C10H13ClN2O — CID 63680701

IUPAC3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-10(2,7-11)9(14)13-8-3-5-12-6-4-8/h3-6H,7H2,1-2H3,(H,12,13,14)
InChIKeyUIJOXDHRRVBIOG-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.29
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide

3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide (PubChem CID 63680701) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
PubChem CID63680701
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-10(2,7-11)9(14)13-8-3-5-12-6-4-8/h3-6H,7H2,1-2H3,(H,12,13,14)
InChIKeyUIJOXDHRRVBIOG-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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

3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
2,2,2-tribromo-N-pyridin-4-ylacetamide
CID 23576873
methyl 2,2-dimethyl-3-oxo-3-(pyridin-4-ylamino)propanoate
CID 115174758
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide
CID 164680328
3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide (CID 63680701) is 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide is CC(C)(CCl)C(=O)Nc1ccncc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide?
The InChIKey is UIJOXDHRRVBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-10(2,7-11)9(14)13-8-3-5-12-6-4-8/h3-6H,7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide?
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide has a molecular weight of 212.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 63680701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).