3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide

C15H21Cl2N3O2 — CID 2767546

IUPAC3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1cccc(NC(=O)C(C)(C)CCl)n1
InChIInChI=1S/C15H21Cl2N3O2/c1-14(2,8-16)12(21)19-10-6-5-7-11(18-10)20-13(22)15(3,4)9-17/h5-7H,8-9H2,1-4H3,(H2,18,19,20,21,22)
InChIKeyVRZTVZBTJUBGJO-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.49
Rot. Bonds6

About 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide

3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 2767546) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID2767546
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)Nc1cccc(NC(=O)C(C)(C)CCl)n1
InChIInChI=1S/C15H21Cl2N3O2/c1-14(2,8-16)12(21)19-10-6-5-7-11(18-10)20-13(22)15(3,4)9-17/h5-7H,8-9H2,1-4H3,(H2,18,19,20,21,22)
InChIKeyVRZTVZBTJUBGJO-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2-dimethyl-N-(6-methyl-2-pyridinyl)propanamide;dihydrochloride
CID 119827439
3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
3-chloro-2,2-dimethyl-N-(2-methylquinolin-8-yl)propanamide
CID 63666962
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687
2,2-dimethyl-N-(6-phosphanyl-2-pyridinyl)propanamide
CID 70898428
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
2,2-dimethyl-N-[6-(nitrosomethyl)-2-pyridinyl]propanamide
CID 90865597
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide (CID 2767546) is 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1cccc(NC(=O)C(C)(C)CCl)n1.
What is the InChIKey of 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is VRZTVZBTJUBGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-14(2,8-16)12(21)19-10-6-5-7-11(18-10)20-13(22)15(3,4)9-17/h5-7H,8-9H2,1-4H3,(H2,18,19,20,21,22).
What are the key properties of 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide?
3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 346.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).