N-pentyl-N-(pyridin-4-ylmethyl)acetamide

C13H20N2O — CID 46205843

IUPACN-pentyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCCCCN(Cc1ccncc1)C(C)=O
InChIInChI=1S/C13H20N2O/c1-3-4-5-10-15(12(2)16)11-13-6-8-14-9-7-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeySAIWFIHKQKFMGC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.62
Rot. Bonds6

About N-pentyl-N-(pyridin-4-ylmethyl)acetamide

N-pentyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 46205843) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-pentyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-pentyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID46205843
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-pentyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCCCCN(Cc1ccncc1)C(C)=O
InChIInChI=1S/C13H20N2O/c1-3-4-5-10-15(12(2)16)11-13-6-8-14-9-7-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeySAIWFIHKQKFMGC-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

N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
N-butyl-4-ethyl-2-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 77097813
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-butyl-N-heptylacetamide
CID 91713167

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-pentyl-N-(pyridin-4-ylmethyl)acetamide (CID 46205843) is N-pentyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-pentyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-pentyl-N-(pyridin-4-ylmethyl)acetamide is CCCCCN(Cc1ccncc1)C(C)=O.
What is the InChIKey of N-pentyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SAIWFIHKQKFMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-5-10-15(12(2)16)11-13-6-8-14-9-7-13/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of N-pentyl-N-(pyridin-4-ylmethyl)acetamide?
N-pentyl-N-(pyridin-4-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-4-ylmethyl)acetamide is sourced from PubChem (CID 46205843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).