N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane

C26H35ClN4O3 — CID 168997499

IUPACN-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
SMILESCC.CCCC(=O)Nc1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cnc1C
InChIInChI=1S/C24H29ClN4O3.C2H6/c1-3-4-22(30)27-21-14-18(15-26-16(21)2)32-12-11-29-9-7-24(8-10-29)19-13-17(25)5-6-20(19)28-23(24)31;1-2/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,27,30)(H,28,31);1-2H3
InChIKeyJUGVGHBTSSLJKV-UHFFFAOYSA-N
MW487.04 g/mol
LogP5.17
Rot. Bonds7

About N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane

N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane (PubChem CID 168997499) has the molecular formula C26H35ClN4O3 and a molecular weight of 487.04 g/mol. Its IUPAC name is N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane.

Molecular Properties

Compound NameN-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
PubChem CID168997499
Molecular FormulaC26H35ClN4O3
Molecular Weight487.04 g/mol
Exact Mass486.24
IUPAC NameN-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
SMILESCC.CCCC(=O)Nc1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cnc1C
InChIInChI=1S/C24H29ClN4O3.C2H6/c1-3-4-22(30)27-21-14-18(15-26-16(21)2)32-12-11-29-9-7-24(8-10-29)19-13-17(25)5-6-20(19)28-23(24)31;1-2/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,27,30)(H,28,31);1-2H3
InChIKeyJUGVGHBTSSLJKV-UHFFFAOYSA-N
XLogP5.17
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane?
The IUPAC name of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane (CID 168997499) is N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane.
What is the SMILES notation for N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane?
The canonical SMILES for N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane is CC.CCCC(=O)Nc1cc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cnc1C.
What is the InChIKey of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane?
The InChIKey is JUGVGHBTSSLJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3.C2H6/c1-3-4-22(30)27-21-14-18(15-26-16(21)2)32-12-11-29-9-7-24(8-10-29)19-13-17(25)5-6-20(19)28-23(24)31;1-2/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,27,30)(H,28,31);1-2H3.
What are the key properties of N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane?
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane has a molecular weight of 487.04 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane is sourced from PubChem (CID 168997499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).