methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate

C25H28N4O5 — CID 166273079

IUPACmethyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate
SMILESCCOc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)nc1C
InChIInChI=1S/C25H28N4O5/c1-4-34-21-7-8-22(27-15(21)2)28-23(30)24(31)29-11-9-16(10-12-29)19-14-26-20-6-5-17(13-18(19)20)25(32)33-3/h5-8,13-14,16,26H,4,9-12H2,1-3H3,(H,27,28,30)
InChIKeyGORFJDHWNBBODR-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.40
Rot. Bonds5

About methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate

methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate (PubChem CID 166273079) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate
PubChem CID166273079
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Namemethyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate
SMILESCCOc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)nc1C
InChIInChI=1S/C25H28N4O5/c1-4-34-21-7-8-22(27-15(21)2)28-23(30)24(31)29-11-9-16(10-12-29)19-14-26-20-6-5-17(13-18(19)20)25(32)33-3/h5-8,13-14,16,26H,4,9-12H2,1-3H3,(H,27,28,30)
InChIKeyGORFJDHWNBBODR-UHFFFAOYSA-N
XLogP3.40
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[1-(1-cyanocyclopentanecarbonyl)piperidin-4-yl]-1H-indole-5-carboxylate
CID 166255803
methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
CID 22909425
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088
1-ethyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 11808793
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
4-methoxybenzoic acid;1-(2-methylphenyl)-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 19601513
(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126787585
4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 10959868
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;methyl 3-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-1H-indole-5-carboxylate
CID 161321953
methyl 3-[2-(dimethylamino)-2-oxoacetyl]-1H-indole-5-carboxylate
CID 121230644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate (CID 166273079) is methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate is CCOc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)nc1C.
What is the InChIKey of methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate?
The InChIKey is GORFJDHWNBBODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-4-34-21-7-8-22(27-15(21)2)28-23(30)24(31)29-11-9-16(10-12-29)19-14-26-20-6-5-17(13-18(19)20)25(32)33-3/h5-8,13-14,16,26H,4,9-12H2,1-3H3,(H,27,28,30).
What are the key properties of methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate?
methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[2-[(5-ethoxy-6-methyl-2-pyridinyl)amino]-2-oxoacetyl]piperidin-4-yl]-1H-indole-5-carboxylate is sourced from PubChem (CID 166273079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).