3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide

C13H21N3O — CID 109012394

IUPAC3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCCCNCCC(=O)NCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-2-3-7-14-10-6-13(17)16-11-12-4-8-15-9-5-12/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyMMIUCMMAADEERP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.48
Rot. Bonds8

About 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide

3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 109012394) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID109012394
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCCCNCCC(=O)NCc1ccncc1
InChIInChI=1S/C13H21N3O/c1-2-3-7-14-10-6-13(17)16-11-12-4-8-15-9-5-12/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyMMIUCMMAADEERP-UHFFFAOYSA-N
XLogP1.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
11-[[2-(decanoylamino)acetyl]amino]-N-(pyridin-4-ylmethyl)undecanamide
CID 71069950
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide
CID 52851554
N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
N-[2-oxo-2-[[5-oxo-5-(pyridin-4-ylmethylamino)pentan-2-yl]amino]ethyl]dodecanamide
CID 143739581
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide (CID 109012394) is 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide is CCCCNCCC(=O)NCc1ccncc1.
What is the InChIKey of 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is MMIUCMMAADEERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-7-14-10-6-13(17)16-11-12-4-8-15-9-5-12/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide?
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 109012394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).