4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid

C10H15N3O2 — CID 82060932

IUPAC4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
SMILESCc1nc(NCCCC(=O)O)ccc1N
InChIInChI=1S/C10H15N3O2/c1-7-8(11)4-5-9(13-7)12-6-2-3-10(14)15/h4-5H,2-3,6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyIKEZFBMLOAVCQQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.25
Rot. Bonds5

About 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid

4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid (PubChem CID 82060932) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
PubChem CID82060932
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
SMILESCc1nc(NCCCC(=O)O)ccc1N
InChIInChI=1S/C10H15N3O2/c1-7-8(11)4-5-9(13-7)12-6-2-3-10(14)15/h4-5H,2-3,6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyIKEZFBMLOAVCQQ-UHFFFAOYSA-N
XLogP1.25
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.25
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

6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
N-(5-amino-6-methyl-2-pyridinyl)propanamide
CID 82330911
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
CID 114987459
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
2-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid
CID 82060937
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
4-[(5-chloro-2-pyridinyl)amino]butanoic acid
CID 24698899
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
The IUPAC name of 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid (CID 82060932) is 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid is Cc1nc(NCCCC(=O)O)ccc1N.
What is the InChIKey of 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
The InChIKey is IKEZFBMLOAVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-8(11)4-5-9(13-7)12-6-2-3-10(14)15/h4-5H,2-3,6,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid?
4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-methyl-2-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 82060932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).