6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide

C29H31N5O4 — CID 90344083

IUPAC6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C29H31N5O4/c1-3-37-25-18-24-22(11-15-34(24)29(36)30-2)16-26(25)38-23-10-14-32-27(17-23)33-28(35)21-6-4-19(5-7-21)20-8-12-31-13-9-20/h4-7,10-11,14-18,20,31H,3,8-9,12-13H2,1-2H3,(H,30,36)(H,32,33,35)
InChIKeyTXOQFLRUTYZUGU-UHFFFAOYSA-N
MW513.60 g/mol
LogP5.13
Rot. Bonds7

About 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide

6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 90344083) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID90344083
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C29H31N5O4/c1-3-37-25-18-24-22(11-15-34(24)29(36)30-2)16-26(25)38-23-10-14-32-27(17-23)33-28(35)21-6-4-19(5-7-21)20-8-12-31-13-9-20/h4-7,10-11,14-18,20,31H,3,8-9,12-13H2,1-2H3,(H,30,36)(H,32,33,35)
InChIKeyTXOQFLRUTYZUGU-UHFFFAOYSA-N
XLogP5.13
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (CID 90344083) is 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is TXOQFLRUTYZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-3-37-25-18-24-22(11-15-34(24)29(36)30-2)16-26(25)38-23-10-14-32-27(17-23)33-28(35)21-6-4-19(5-7-21)20-8-12-31-13-9-20/h4-7,10-11,14-18,20,31H,3,8-9,12-13H2,1-2H3,(H,30,36)(H,32,33,35).
What are the key properties of 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 5.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 90344083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).