5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide

C12H17ClN2O — CID 43565136

IUPAC5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
SMILESCN(Cc1ccccn1)C(=O)CCCCCl
InChIInChI=1S/C12H17ClN2O/c1-15(12(16)7-2-4-8-13)10-11-6-3-5-9-14-11/h3,5-6,9H,2,4,7-8,10H2,1H3
InChIKeyTWBAJVLROYSRKQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.45
Rot. Bonds6

About 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide

5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 43565136) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID43565136
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
SMILESCN(Cc1ccccn1)C(=O)CCCCCl
InChIInChI=1S/C12H17ClN2O/c1-15(12(16)7-2-4-8-13)10-11-6-3-5-9-14-11/h3,5-6,9H,2,4,7-8,10H2,1H3
InChIKeyTWBAJVLROYSRKQ-UHFFFAOYSA-N
XLogP2.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
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
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
5-chloro-N,N-dipyridin-2-ylpentanamide
CID 141179043
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
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
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide (CID 43565136) is 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide is CN(Cc1ccccn1)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is TWBAJVLROYSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(12(16)7-2-4-8-13)10-11-6-3-5-9-14-11/h3,5-6,9H,2,4,7-8,10H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide?
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 240.73 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 43565136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).