3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide

C25H27N5O2 — CID 56835137

IUPAC3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)ccn2)cc1C
InChIInChI=1S/C25H27N5O2/c1-15-3-4-18(11-16(15)2)23(31)30-21-12-17(5-8-27-21)20-13-19-22(29-20)25(14-28-24(19)32)6-9-26-10-7-25/h3-5,8,11-13,26,29H,6-7,9-10,14H2,1-2H3,(H,28,32)(H,27,30,31)
InChIKeyJLSAYGNBEXSZKV-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.31
Rot. Bonds3

About 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide

3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide (PubChem CID 56835137) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
PubChem CID56835137
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)ccn2)cc1C
InChIInChI=1S/C25H27N5O2/c1-15-3-4-18(11-16(15)2)23(31)30-21-12-17(5-8-27-21)20-13-19-22(29-20)25(14-28-24(19)32)6-9-26-10-7-25/h3-5,8,11-13,26,29H,6-7,9-10,14H2,1-2H3,(H,28,32)(H,27,30,31)
InChIKeyJLSAYGNBEXSZKV-UHFFFAOYSA-N
XLogP3.31
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide (CID 56835137) is 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)ccn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide?
The InChIKey is JLSAYGNBEXSZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-3-4-18(11-16(15)2)23(31)30-21-12-17(5-8-27-21)20-13-19-22(29-20)25(14-28-24(19)32)6-9-26-10-7-25/h3-5,8,11-13,26,29H,6-7,9-10,14H2,1-2H3,(H,28,32)(H,27,30,31).
What are the key properties of 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide?
3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 56835137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).