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

C24H25N5O2 — CID 57400386

IUPAC3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNC3)CNC4=O)ccn2)cc1C
InChIInChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30)
InChIKeySWTKULKSQOJRAV-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.92
Rot. Bonds3

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

3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide (PubChem CID 57400386) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
PubChem CID57400386
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNC3)CNC4=O)ccn2)cc1C
InChIInChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30)
InChIKeySWTKULKSQOJRAV-UHFFFAOYSA-N
XLogP2.92
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.92
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-7,3'-pyrrolidine]-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-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide (CID 57400386) is 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-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-7,3'-pyrrolidine]-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-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNC3)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-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide?
The InChIKey is SWTKULKSQOJRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30).
What are the key properties of 3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide?
3,4-dimethyl-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 2.92, 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-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 57400386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).