N-[6-(butylamino)-3-pyridinyl]acetamide

C11H17N3O — CID 113009439

IUPACN-[6-(butylamino)-3-pyridinyl]acetamide
SMILESCCCCNc1ccc(NC(C)=O)cn1
InChIInChI=1S/C11H17N3O/c1-3-4-7-12-11-6-5-10(8-13-11)14-9(2)15/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUJBNRIXYTBDGQO-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.25
Rot. Bonds5

About N-[6-(butylamino)-3-pyridinyl]acetamide

N-[6-(butylamino)-3-pyridinyl]acetamide (PubChem CID 113009439) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[6-(butylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(butylamino)-3-pyridinyl]acetamide
PubChem CID113009439
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[6-(butylamino)-3-pyridinyl]acetamide
SMILESCCCCNc1ccc(NC(C)=O)cn1
InChIInChI=1S/C11H17N3O/c1-3-4-7-12-11-6-5-10(8-13-11)14-9(2)15/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyUJBNRIXYTBDGQO-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 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 ≤ 52.25
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-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
4-oxo-4-[[6-(pentylamino)-3-pyridinyl]amino]butanoic acid
CID 39178036
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
2-chloro-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015233
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
N-[6-(3-methoxypropylamino)-3-pyridinyl]butanamide
CID 113010443
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylamino)-3-pyridinyl]acetamide?
The IUPAC name of N-[6-(butylamino)-3-pyridinyl]acetamide (CID 113009439) is N-[6-(butylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(butylamino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-(butylamino)-3-pyridinyl]acetamide is CCCCNc1ccc(NC(C)=O)cn1.
What is the InChIKey of N-[6-(butylamino)-3-pyridinyl]acetamide?
The InChIKey is UJBNRIXYTBDGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-7-12-11-6-5-10(8-13-11)14-9(2)15/h5-6,8H,3-4,7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N-[6-(butylamino)-3-pyridinyl]acetamide?
N-[6-(butylamino)-3-pyridinyl]acetamide has a molecular weight of 207.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113009439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).