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

C26H29N5O2 — CID 56835138

IUPAC3,4-dimethyl-N-[4-(1'-methyl-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(CCN(C)CC3)CNC4=O)ccn2)cc1C
InChIInChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32)
InChIKeyOAVAWUCQTZYDRR-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.65
Rot. Bonds3

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

3,4-dimethyl-N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide (PubChem CID 56835138) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(1'-methyl-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-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide
PubChem CID56835138
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name3,4-dimethyl-N-[4-(1'-methyl-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(CCN(C)CC3)CNC4=O)ccn2)cc1C
InChIInChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32)
InChIKeyOAVAWUCQTZYDRR-UHFFFAOYSA-N
XLogP3.65
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(1'-methyl-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-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide (CID 56835138) is 3,4-dimethyl-N-[4-(1'-methyl-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-(1'-methyl-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-(1'-methyl-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(CCN(C)CC3)CNC4=O)ccn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide?
The InChIKey is OAVAWUCQTZYDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32).
What are the key properties of 3,4-dimethyl-N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide?
3,4-dimethyl-N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(1'-methyl-4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 56835138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).