2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane

C11H16Cl2N6O — CID 171774439

IUPAC2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane
SMILESCCC(N)C(=O)Nc1ccc(CN=[N+]=[N-])nc1.ClCCl
InChIInChI=1S/C10H14N6O.CH2Cl2/c1-2-9(11)10(17)15-8-4-3-7(13-5-8)6-14-16-12;2-1-3/h3-5,9H,2,6,11H2,1H3,(H,15,17);1H2
InChIKeyNARJXAUPULLZNX-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.99
Rot. Bonds5

About 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane

2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane (PubChem CID 171774439) has the molecular formula C11H16Cl2N6O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane.

Molecular Properties

Compound Name2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane
PubChem CID171774439
Molecular FormulaC11H16Cl2N6O
Molecular Weight319.20 g/mol
Exact Mass318.08
IUPAC Name2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane
SMILESCCC(N)C(=O)Nc1ccc(CN=[N+]=[N-])nc1.ClCCl
InChIInChI=1S/C10H14N6O.CH2Cl2/c1-2-9(11)10(17)15-8-4-3-7(13-5-8)6-14-16-12;2-1-3/h3-5,9H,2,6,11H2,1H3,(H,15,17);1H2
InChIKeyNARJXAUPULLZNX-UHFFFAOYSA-N
XLogP2.99
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
3-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(azidomethyl)-3-pyridinyl]propanamide
CID 165430098
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
4-[[(2S)-2-aminobutanoyl]amino]-N,N-diethylbenzamide
CID 79023506
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane?
The IUPAC name of 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane (CID 171774439) is 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane.
What is the SMILES notation for 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane?
The canonical SMILES for 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane is CCC(N)C(=O)Nc1ccc(CN=[N+]=[N-])nc1.ClCCl.
What is the InChIKey of 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane?
The InChIKey is NARJXAUPULLZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O.CH2Cl2/c1-2-9(11)10(17)15-8-4-3-7(13-5-8)6-14-16-12;2-1-3/h3-5,9H,2,6,11H2,1H3,(H,15,17);1H2.
What are the key properties of 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane?
2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane has a molecular weight of 319.20 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(azidomethyl)-3-pyridinyl]butanamide;dichloromethane is sourced from PubChem (CID 171774439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).