6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid

C15H19N3O3 — CID 103116333

IUPAC6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
SMILESCn1nc(C(=O)NCCCCCC(=O)O)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-18-12-8-5-4-7-11(12)14(17-18)15(21)16-10-6-2-3-9-13(19)20/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyLTKLFTKITKROFZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.95
Rot. Bonds7

About 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid

6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid (PubChem CID 103116333) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
PubChem CID103116333
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
SMILESCn1nc(C(=O)NCCCCCC(=O)O)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-18-12-8-5-4-7-11(12)14(17-18)15(21)16-10-6-2-3-9-13(19)20/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyLTKLFTKITKROFZ-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid (CID 103116333) is 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid is Cn1nc(C(=O)NCCCCCC(=O)O)c2ccccc21.
What is the InChIKey of 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid?
The InChIKey is LTKLFTKITKROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-12-8-5-4-7-11(12)14(17-18)15(21)16-10-6-2-3-9-13(19)20/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid?
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 103116333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).