methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate

C13H15N3O3 — CID 103121172

IUPACmethyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-16-10-6-4-3-5-9(10)12(15-16)13(18)14-8-7-11(17)19-2/h3-6H,7-8H2,1-2H3,(H,14,18)
InChIKeySBUXBWLUIZPFAU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.87
Rot. Bonds4

About methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate

methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate (PubChem CID 103121172) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
PubChem CID103121172
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-16-10-6-4-3-5-9(10)12(15-16)13(18)14-8-7-11(17)19-2/h3-6H,7-8H2,1-2H3,(H,14,18)
InChIKeySBUXBWLUIZPFAU-UHFFFAOYSA-N
XLogP0.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate (CID 103121172) is methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate?
The InChIKey is SBUXBWLUIZPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-10-6-4-3-5-9(10)12(15-16)13(18)14-8-7-11(17)19-2/h3-6H,7-8H2,1-2H3,(H,14,18).
What are the key properties of methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate?
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate has a molecular weight of 261.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103121172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).