4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile

C19H17ClN4O — CID 169137895

IUPAC4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)ccn1
InChIInChI=1S/C19H17ClN4O/c20-14-1-2-17-16(10-14)19(18(25)23-17)4-7-24(8-5-19)12-13-3-6-22-15(9-13)11-21/h1-3,6,9-10H,4-5,7-8,12H2,(H,23,25)
InChIKeyVJCYWJXBJAIDQK-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.09
Rot. Bonds2

About 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile

4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile (PubChem CID 169137895) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
PubChem CID169137895
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)ccn1
InChIInChI=1S/C19H17ClN4O/c20-14-1-2-17-16(10-14)19(18(25)23-17)4-7-24(8-5-19)12-13-3-6-22-15(9-13)11-21/h1-3,6,9-10H,4-5,7-8,12H2,(H,23,25)
InChIKeyVJCYWJXBJAIDQK-UHFFFAOYSA-N
XLogP3.09
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile (CID 169137895) is 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile is N#Cc1cc(CN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)ccn1.
What is the InChIKey of 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is VJCYWJXBJAIDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-14-1-2-17-16(10-14)19(18(25)23-17)4-7-24(8-5-19)12-13-3-6-22-15(9-13)11-21/h1-3,6,9-10H,4-5,7-8,12H2,(H,23,25).
What are the key properties of 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile?
4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 352.83 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 169137895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).