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

C30H33N5O5 — CID 90343887

IUPAC5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OC)cc21
InChIInChI=1S/C30H33N5O5/c1-31-30(38)35-14-10-23-17-27(26(39-2)19-25(23)35)40-24-7-11-32-28(18-24)33-29(37)22-5-3-20(4-6-22)21-8-12-34(13-9-21)15-16-36/h3-7,10-11,14,17-19,21,36H,8-9,12-13,15-16H2,1-2H3,(H,31,38)(H,32,33,37)
InChIKeyKFXUCOOECZYUHK-UHFFFAOYSA-N
MW543.62 g/mol
LogP4.45
Rot. Bonds8

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

5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide (PubChem CID 90343887) has the molecular formula C30H33N5O5 and a molecular weight of 543.62 g/mol. Its IUPAC name is 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
PubChem CID90343887
Molecular FormulaC30H33N5O5
Molecular Weight543.62 g/mol
Exact Mass543.25
IUPAC Name5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OC)cc21
InChIInChI=1S/C30H33N5O5/c1-31-30(38)35-14-10-23-17-27(26(39-2)19-25(23)35)40-24-7-11-32-28(18-24)33-29(37)22-5-3-20(4-6-22)21-8-12-34(13-9-21)15-16-36/h3-7,10-11,14,17-19,21,36H,8-9,12-13,15-16H2,1-2H3,(H,31,38)(H,32,33,37)
InChIKeyKFXUCOOECZYUHK-UHFFFAOYSA-N
XLogP4.45
TPSA117.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide (CID 90343887) is 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OC)cc21.
What is the InChIKey of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
The InChIKey is KFXUCOOECZYUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5/c1-31-30(38)35-14-10-23-17-27(26(39-2)19-25(23)35)40-24-7-11-32-28(18-24)33-29(37)22-5-3-20(4-6-22)21-8-12-34(13-9-21)15-16-36/h3-7,10-11,14,17-19,21,36H,8-9,12-13,15-16H2,1-2H3,(H,31,38)(H,32,33,37).
What are the key properties of 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide?
5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-methoxy-N-methylindole-1-carboxamide is sourced from PubChem (CID 90343887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).