N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide

C14H23N3O — CID 109023656

IUPACN-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
SMILESCC(C)CCNC(=O)CCNCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-12(2)5-9-17-14(18)6-8-16-11-13-4-3-7-15-10-13/h3-4,7,10,12,16H,5-6,8-9,11H2,1-2H3,(H,17,18)
InChIKeyWAFYOXPXTDKFSQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds8

About N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide

N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide (PubChem CID 109023656) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
PubChem CID109023656
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
SMILESCC(C)CCNC(=O)CCNCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-12(2)5-9-17-14(18)6-8-16-11-13-4-3-7-15-10-13/h3-4,7,10,12,16H,5-6,8-9,11H2,1-2H3,(H,17,18)
InChIKeyWAFYOXPXTDKFSQ-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

N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023680

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide (CID 109023656) is N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide is CC(C)CCNC(=O)CCNCc1cccnc1.
What is the InChIKey of N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is WAFYOXPXTDKFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(2)5-9-17-14(18)6-8-16-11-13-4-3-7-15-10-13/h3-4,7,10,12,16H,5-6,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide?
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)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 N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 109023656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).