N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide

C12H20N4O — CID 82331581

IUPACN-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide
SMILESCC(=O)NCCCCNc1nc(C)ccc1N
InChIInChI=1S/C12H20N4O/c1-9-5-6-11(13)12(16-9)15-8-4-3-7-14-10(2)17/h5-6H,3-4,7-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOSBYUSUELJJOLH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.30
Rot. Bonds6

About N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide

N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide (PubChem CID 82331581) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide
PubChem CID82331581
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide
SMILESCC(=O)NCCCCNc1nc(C)ccc1N
InChIInChI=1S/C12H20N4O/c1-9-5-6-11(13)12(16-9)15-8-4-3-7-14-10(2)17/h5-6H,3-4,7-8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyOSBYUSUELJJOLH-UHFFFAOYSA-N
XLogP1.30
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 79021592
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
CID 82331250
ethyl 4-[(3-amino-6-methyl-2-pyridinyl)amino]butanoate
CID 81132121
N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 82331245
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
2-[2-[(3-amino-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
CID 106234320
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine
CID 114139240
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide?
The IUPAC name of N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide (CID 82331581) is N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide.
What is the SMILES notation for N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide?
The canonical SMILES for N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide is CC(=O)NCCCCNc1nc(C)ccc1N.
What is the InChIKey of N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide?
The InChIKey is OSBYUSUELJJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-5-6-11(13)12(16-9)15-8-4-3-7-14-10(2)17/h5-6H,3-4,7-8,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide?
N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide is sourced from PubChem (CID 82331581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).