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

C28H29N5O4 — CID 90343908

IUPAC6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCOCc1cc2c(ccn2C(N)=O)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C28H29N5O4/c1-36-17-22-14-24-21(9-13-33(24)28(29)35)15-25(22)37-23-8-12-31-26(16-23)32-27(34)20-4-2-18(3-5-20)19-6-10-30-11-7-19/h2-5,8-9,12-16,19,30H,6-7,10-11,17H2,1H3,(H2,29,35)(H,31,32,34)
InChIKeyJOIRTGXUYXMWNS-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.62
Rot. Bonds7

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

6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 90343908) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID90343908
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
SMILESCOCc1cc2c(ccn2C(N)=O)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C28H29N5O4/c1-36-17-22-14-24-21(9-13-33(24)28(29)35)15-25(22)37-23-8-12-31-26(16-23)32-27(34)20-4-2-18(3-5-20)19-6-10-30-11-7-19/h2-5,8-9,12-16,19,30H,6-7,10-11,17H2,1H3,(H2,29,35)(H,31,32,34)
InChIKeyJOIRTGXUYXMWNS-UHFFFAOYSA-N
XLogP4.62
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide (CID 90343908) is 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is COCc1cc2c(ccn2C(N)=O)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is JOIRTGXUYXMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-36-17-22-14-24-21(9-13-33(24)28(29)35)15-25(22)37-23-8-12-31-26(16-23)32-27(34)20-4-2-18(3-5-20)19-6-10-30-11-7-19/h2-5,8-9,12-16,19,30H,6-7,10-11,17H2,1H3,(H2,29,35)(H,31,32,34).
What are the key properties of 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide?
6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-5-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 90343908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).