methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate

C20H19N3O5 — CID 127042246

IUPACmethyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate
SMILESCOC(=O)CCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21
InChIInChI=1S/C20H19N3O5/c1-27-17-8-7-13(11-21-17)22-20(26)19(25)15-12-23(10-9-18(24)28-2)16-6-4-3-5-14(15)16/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyNMLPARFPDUSUDE-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.43
Rot. Bonds7

About methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate

methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate (PubChem CID 127042246) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate
PubChem CID127042246
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namemethyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate
SMILESCOC(=O)CCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21
InChIInChI=1S/C20H19N3O5/c1-27-17-8-7-13(11-21-17)22-20(26)19(25)15-12-23(10-9-18(24)28-2)16-6-4-3-5-14(15)16/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)
InChIKeyNMLPARFPDUSUDE-UHFFFAOYSA-N
XLogP2.43
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate with MolForge

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Related Compounds

2-(1H-indol-3-yl)-N-(6-methoxy-3-pyridinyl)-2-oxoacetamide
CID 44596787
2-(1-benzylindol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155797600
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
methyl 2-[2-methoxy-4-[[2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]phenoxy]acetate
CID 46786349
tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
CID 135637963
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
N-(3,4-dimethylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207729
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
methyl 4-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]benzoate
CID 3626932
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
methyl 2-[3-[2-(diethylamino)-2-oxoacetyl]indol-1-yl]acetate
CID 21380679

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate?
The IUPAC name of methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate (CID 127042246) is methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate is COC(=O)CCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc21.
What is the InChIKey of methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate?
The InChIKey is NMLPARFPDUSUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-17-8-7-13(11-21-17)22-20(26)19(25)15-12-23(10-9-18(24)28-2)16-6-4-3-5-14(15)16/h3-8,11-12H,9-10H2,1-2H3,(H,22,26).
What are the key properties of methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate?
methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate has a molecular weight of 381.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoacetyl]indol-1-yl]propanoate is sourced from PubChem (CID 127042246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).