N-pentyl-N-(pyridin-2-ylmethyl)acetamide

C13H20N2O — CID 46206176

IUPACN-pentyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCCCCCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C13H20N2O/c1-3-4-7-10-15(12(2)16)11-13-8-5-6-9-14-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyNJGKVBJZYTXZSP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.62
Rot. Bonds6

About N-pentyl-N-(pyridin-2-ylmethyl)acetamide

N-pentyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 46206176) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-pentyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-pentyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID46206176
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-pentyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCCCCCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C13H20N2O/c1-3-4-7-10-15(12(2)16)11-13-8-5-6-9-14-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyNJGKVBJZYTXZSP-UHFFFAOYSA-N
XLogP2.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
N-(pyridin-2-ylmethyl)-N-(3-pyridin-4-ylsulfanylpropyl)acetamide;dihydrochloride
CID 19079249
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
CID 42778769
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
1-butyl-3-(2-methylsulfonylethyl)-1-(pyridin-2-ylmethyl)urea
CID 122562929
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
(E)-N-octadecyl-N,N',N'-tris(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 66810162

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-pentyl-N-(pyridin-2-ylmethyl)acetamide (CID 46206176) is N-pentyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-pentyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-pentyl-N-(pyridin-2-ylmethyl)acetamide is CCCCCN(Cc1ccccn1)C(C)=O.
What is the InChIKey of N-pentyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NJGKVBJZYTXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-7-10-15(12(2)16)11-13-8-5-6-9-14-13/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-pentyl-N-(pyridin-2-ylmethyl)acetamide?
N-pentyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 220.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 46206176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).