methyl 6-(1H-indazole-6-carbonylamino)hexanoate

C15H19N3O3 — CID 43423425

IUPACmethyl 6-(1H-indazole-6-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H19N3O3/c1-21-14(19)5-3-2-4-8-16-15(20)11-6-7-12-10-17-18-13(12)9-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyZRULZYROFNBZCS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.03
Rot. Bonds7

About methyl 6-(1H-indazole-6-carbonylamino)hexanoate

methyl 6-(1H-indazole-6-carbonylamino)hexanoate (PubChem CID 43423425) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 6-(1H-indazole-6-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(1H-indazole-6-carbonylamino)hexanoate
PubChem CID43423425
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 6-(1H-indazole-6-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C15H19N3O3/c1-21-14(19)5-3-2-4-8-16-15(20)11-6-7-12-10-17-18-13(12)9-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyZRULZYROFNBZCS-UHFFFAOYSA-N
XLogP2.03
TPSA84.08 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 ≤ 52.03
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

methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-indazole-6-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(1H-indazole-6-carbonylamino)hexanoate (CID 43423425) is methyl 6-(1H-indazole-6-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(1H-indazole-6-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(1H-indazole-6-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of methyl 6-(1H-indazole-6-carbonylamino)hexanoate?
The InChIKey is ZRULZYROFNBZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-14(19)5-3-2-4-8-16-15(20)11-6-7-12-10-17-18-13(12)9-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of methyl 6-(1H-indazole-6-carbonylamino)hexanoate?
methyl 6-(1H-indazole-6-carbonylamino)hexanoate has a molecular weight of 289.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-indazole-6-carbonylamino)hexanoate is sourced from PubChem (CID 43423425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).