4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide

C11H15ClN2O — CID 63309527

IUPAC4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCN(Cc1ccccn1)C(=O)CCCCl
InChIInChI=1S/C11H15ClN2O/c1-14(11(15)6-4-7-12)9-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7,9H2,1H3
InChIKeyNSIMGUKBEPEBOB-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.06
Rot. Bonds5

About 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide

4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 63309527) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID63309527
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCN(Cc1ccccn1)C(=O)CCCCl
InChIInChI=1S/C11H15ClN2O/c1-14(11(15)6-4-7-12)9-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7,9H2,1H3
InChIKeyNSIMGUKBEPEBOB-UHFFFAOYSA-N
XLogP2.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.06
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

5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
4-ethoxy-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 86824151
2,2-dimethyl-4-[methyl(pyridin-2-ylmethyl)amino]-4-oxobutanoic acid
CID 65302187
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
4-chloro-N,N-dipyridin-2-ylbutanamide
CID 141179045
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
[methyl-[3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]carbamoyl] 3-phenylpropaneperoxoate
CID 23166538
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
acetic acid;2-(chloromethyl)pyridine
CID 174751578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide (CID 63309527) is 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide is CN(Cc1ccccn1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is NSIMGUKBEPEBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-14(11(15)6-4-7-12)9-10-5-2-3-8-13-10/h2-3,5,8H,4,6-7,9H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide?
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 226.71 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 63309527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).