N-(3-aminobutyl)-2-pyridin-3-ylacetamide

C11H17N3O — CID 63253983

IUPACN-(3-aminobutyl)-2-pyridin-3-ylacetamide
SMILESCC(N)CCNC(=O)Cc1cccnc1
InChIInChI=1S/C11H17N3O/c1-9(12)4-6-14-11(15)7-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7,12H2,1H3,(H,14,15)
InChIKeyRCCVYGVTWBMAJB-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.48
Rot. Bonds5

About N-(3-aminobutyl)-2-pyridin-3-ylacetamide

N-(3-aminobutyl)-2-pyridin-3-ylacetamide (PubChem CID 63253983) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-pyridin-3-ylacetamide
PubChem CID63253983
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-aminobutyl)-2-pyridin-3-ylacetamide
SMILESCC(N)CCNC(=O)Cc1cccnc1
InChIInChI=1S/C11H17N3O/c1-9(12)4-6-14-11(15)7-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7,12H2,1H3,(H,14,15)
InChIKeyRCCVYGVTWBMAJB-UHFFFAOYSA-N
XLogP0.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
CID 67328330
(2S)-2-amino-6-[(2-pyridin-3-ylacetyl)amino]hexanoic acid
CID 14628128
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-(3-aminobutyl)-2-pyridin-3-ylacetamide (CID 63253983) is N-(3-aminobutyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(3-aminobutyl)-2-pyridin-3-ylacetamide is CC(N)CCNC(=O)Cc1cccnc1.
What is the InChIKey of N-(3-aminobutyl)-2-pyridin-3-ylacetamide?
The InChIKey is RCCVYGVTWBMAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(12)4-6-14-11(15)7-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7,12H2,1H3,(H,14,15).
What are the key properties of N-(3-aminobutyl)-2-pyridin-3-ylacetamide?
N-(3-aminobutyl)-2-pyridin-3-ylacetamide has a molecular weight of 207.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 63253983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).