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

C14H23N3O — CID 109023814

IUPAC3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)CCNCCC(=O)NCc1ccncc1
InChIInChI=1S/C14H23N3O/c1-12(2)3-7-15-10-6-14(18)17-11-13-4-8-16-9-5-13/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeySHQFYASWDZVJSE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds8

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

3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 109023814) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID109023814
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)CCNCCC(=O)NCc1ccncc1
InChIInChI=1S/C14H23N3O/c1-12(2)3-7-15-10-6-14(18)17-11-13-4-8-16-9-5-13/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,17,18)
InChIKeySHQFYASWDZVJSE-UHFFFAOYSA-N
XLogP1.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
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

3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide (CID 109023814) is 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide is CC(C)CCNCCC(=O)NCc1ccncc1.
What is the InChIKey of 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is SHQFYASWDZVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(2)3-7-15-10-6-14(18)17-11-13-4-8-16-9-5-13/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide?
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 109023814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).