2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide

C10H12ClN3O2 — CID 43563856

IUPAC2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
SMILESCN(Cc1cccnc1)C(=O)NC(=O)CCl
InChIInChI=1S/C10H12ClN3O2/c1-14(10(16)13-9(15)5-11)7-8-3-2-4-12-6-8/h2-4,6H,5,7H2,1H3,(H,13,15,16)
InChIKeyMWUSDVGSVOQIST-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.99
Rot. Bonds3

About 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide

2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide (PubChem CID 43563856) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
PubChem CID43563856
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
SMILESCN(Cc1cccnc1)C(=O)NC(=O)CCl
InChIInChI=1S/C10H12ClN3O2/c1-14(10(16)13-9(15)5-11)7-8-3-2-4-12-6-8/h2-4,6H,5,7H2,1H3,(H,13,15,16)
InChIKeyMWUSDVGSVOQIST-UHFFFAOYSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.99
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-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
1-methyl-1-(pyridin-3-ylmethyl)-3-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]urea
CID 97340927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide (CID 43563856) is 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide is CN(Cc1cccnc1)C(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide?
The InChIKey is MWUSDVGSVOQIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-14(10(16)13-9(15)5-11)7-8-3-2-4-12-6-8/h2-4,6H,5,7H2,1H3,(H,13,15,16).
What are the key properties of 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide?
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide has a molecular weight of 241.68 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide is sourced from PubChem (CID 43563856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).