3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide

C12H17ClN2O — CID 63681105

IUPAC3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H17ClN2O/c1-12(2,9-13)11(16)15(3)8-10-5-4-6-14-7-10/h4-7H,8-9H2,1-3H3
InChIKeyIZIJWZOICHODIJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.31
Rot. Bonds4

About 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide

3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 63681105) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID63681105
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCN(Cc1cccnc1)C(=O)C(C)(C)CCl
InChIInChI=1S/C12H17ClN2O/c1-12(2,9-13)11(16)15(3)8-10-5-4-6-14-7-10/h4-7H,8-9H2,1-3H3
InChIKeyIZIJWZOICHODIJ-UHFFFAOYSA-N
XLogP2.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-amino-2-ethyl-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 79809149
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 154646124
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
CID 114292663
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
(Z)-2,3-dimethyl-4-[methyl(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 55167727
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide (CID 63681105) is 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide is CN(Cc1cccnc1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IZIJWZOICHODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2,9-13)11(16)15(3)8-10-5-4-6-14-7-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide?
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 240.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 63681105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).