6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C33H39N5O6 — CID 77108136

IUPAC6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCO)CC3)cc2)c1
InChIInChI=1S/C33H39N5O6/c1-3-42-18-19-43-29-22-28-26(11-15-38(28)33(41)34-2)20-30(29)44-27-8-12-35-31(21-27)36-32(40)25-6-4-23(5-7-25)24-9-13-37(14-10-24)16-17-39/h4-8,11-12,15,20-22,24,39H,3,9-10,13-14,16-19H2,1-2H3,(H,34,41)(H,35,36,40)
InChIKeyZMIXKUDAIPIMBU-UHFFFAOYSA-N
MW601.70 g/mol
LogP4.86
Rot. Bonds12

About 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 77108136) has the molecular formula C33H39N5O6 and a molecular weight of 601.70 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID77108136
Molecular FormulaC33H39N5O6
Molecular Weight601.70 g/mol
Exact Mass601.29
IUPAC Name6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCO)CC3)cc2)c1
InChIInChI=1S/C33H39N5O6/c1-3-42-18-19-43-29-22-28-26(11-15-38(28)33(41)34-2)20-30(29)44-27-8-12-35-31(21-27)36-32(40)25-6-4-23(5-7-25)24-9-13-37(14-10-24)16-17-39/h4-8,11-12,15,20-22,24,39H,3,9-10,13-14,16-19H2,1-2H3,(H,34,41)(H,35,36,40)
InChIKeyZMIXKUDAIPIMBU-UHFFFAOYSA-N
XLogP4.86
TPSA127.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.70
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 77108136) is 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCO)CC3)cc2)c1.
What is the InChIKey of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is ZMIXKUDAIPIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O6/c1-3-42-18-19-43-29-22-28-26(11-15-38(28)33(41)34-2)20-30(29)44-27-8-12-35-31(21-27)36-32(40)25-6-4-23(5-7-25)24-9-13-37(14-10-24)16-17-39/h4-8,11-12,15,20-22,24,39H,3,9-10,13-14,16-19H2,1-2H3,(H,34,41)(H,35,36,40).
What are the key properties of 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 601.70 g/mol, XLogP of 4.86, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 77108136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).