5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

C24H30N6O4 — CID 10344471

IUPAC5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)NCCCN4CCC(O)CC4)c3)ccc21
InChIInChI=1S/C24H30N6O4/c1-25-24(33)30-14-6-17-15-19(3-4-21(17)30)34-20-5-10-26-22(16-20)28-23(32)27-9-2-11-29-12-7-18(31)8-13-29/h3-6,10,14-16,18,31H,2,7-9,11-13H2,1H3,(H,25,33)(H2,26,27,28,32)
InChIKeyYNPVYTMDEUMEQZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.98
Rot. Bonds7

About 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide

5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (PubChem CID 10344471) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
PubChem CID10344471
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
SMILESCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)NCCCN4CCC(O)CC4)c3)ccc21
InChIInChI=1S/C24H30N6O4/c1-25-24(33)30-14-6-17-15-19(3-4-21(17)30)34-20-5-10-26-22(16-20)28-23(32)27-9-2-11-29-12-7-18(31)8-13-29/h3-6,10,14-16,18,31H,2,7-9,11-13H2,1H3,(H,25,33)(H2,26,27,28,32)
InChIKeyYNPVYTMDEUMEQZ-UHFFFAOYSA-N
XLogP2.98
TPSA120.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The IUPAC name of 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide (CID 10344471) is 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide.
What is the SMILES notation for 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The canonical SMILES for 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)NCCCN4CCC(O)CC4)c3)ccc21.
What is the InChIKey of 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
The InChIKey is YNPVYTMDEUMEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-25-24(33)30-14-6-17-15-19(3-4-21(17)30)34-20-5-10-26-22(16-20)28-23(32)27-9-2-11-29-12-7-18(31)8-13-29/h3-6,10,14-16,18,31H,2,7-9,11-13H2,1H3,(H,25,33)(H2,26,27,28,32).
What are the key properties of 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide?
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide is sourced from PubChem (CID 10344471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).