5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide

C25H31N5O4 — CID 10073189

IUPAC5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
SMILESCC(C)CCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(O)CC4)c3)ccc21
InChIInChI=1S/C25H31N5O4/c1-17(2)5-10-27-24(32)30-14-7-18-15-20(3-4-22(18)30)34-21-6-11-26-23(16-21)28-25(33)29-12-8-19(31)9-13-29/h3-4,6-7,11,14-17,19,31H,5,8-10,12-13H2,1-2H3,(H,27,32)(H,26,28,33)
InChIKeyWJKXJLPSSQHNJN-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.42
Rot. Bonds6

About 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide

5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide (PubChem CID 10073189) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide.

Molecular Properties

Compound Name5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
PubChem CID10073189
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide
SMILESCC(C)CCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(O)CC4)c3)ccc21
InChIInChI=1S/C25H31N5O4/c1-17(2)5-10-27-24(32)30-14-7-18-15-20(3-4-22(18)30)34-21-6-11-26-23(16-21)28-25(33)29-12-8-19(31)9-13-29/h3-4,6-7,11,14-17,19,31H,5,8-10,12-13H2,1-2H3,(H,27,32)(H,26,28,33)
InChIKeyWJKXJLPSSQHNJN-UHFFFAOYSA-N
XLogP4.42
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide?
The IUPAC name of 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide (CID 10073189) is 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide.
What is the SMILES notation for 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide?
The canonical SMILES for 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide is CC(C)CCNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)N4CCC(O)CC4)c3)ccc21.
What is the InChIKey of 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide?
The InChIKey is WJKXJLPSSQHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-17(2)5-10-27-24(32)30-14-7-18-15-20(3-4-22(18)30)34-21-6-11-26-23(16-21)28-25(33)29-12-8-19(31)9-13-29/h3-4,6-7,11,14-17,19,31H,5,8-10,12-13H2,1-2H3,(H,27,32)(H,26,28,33).
What are the key properties of 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide?
5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(4-hydroxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]-N-(3-methylbutyl)indole-1-carboxamide is sourced from PubChem (CID 10073189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).