3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide

C12H18ClN3O — CID 63680361

IUPAC3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCN(C)c1ncccc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C12H18ClN3O/c1-12(2,8-13)11(17)15-9-6-5-7-14-10(9)16(3)4/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyWELQCOZPJZSBSD-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.35
Rot. Bonds4

About 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide

3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 63680361) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID63680361
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCN(C)c1ncccc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C12H18ClN3O/c1-12(2,8-13)11(17)15-9-6-5-7-14-10(9)16(3)4/h5-7H,8H2,1-4H3,(H,15,17)
InChIKeyWELQCOZPJZSBSD-UHFFFAOYSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948
3-(tert-butylamino)-N-[2-(dimethylamino)-3-pyridinyl]propanamide
CID 60849579
N-[2-(dimethylamino)-3-pyridinyl]-5-hydroxypentanamide
CID 79199831
3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
3-chloro-2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 63680516
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
2-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569324
N-[2-(dimethylamino)-3-pyridinyl]-2-ethoxyacetamide
CID 60778535
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555
1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopropane-1-carboxamide
CID 65463803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide (CID 63680361) is 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide is CN(C)c1ncccc1NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is WELQCOZPJZSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2,8-13)11(17)15-9-6-5-7-14-10(9)16(3)4/h5-7H,8H2,1-4H3,(H,15,17).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63680361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).