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

C21H20N6O2 — CID 57396966

IUPACN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccccn1
InChIInChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29)
InChIKeyKUHJGHADZLHBNB-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.70
Rot. Bonds3

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

N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 57396966) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID57396966
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccccn1
InChIInChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29)
InChIKeyKUHJGHADZLHBNB-UHFFFAOYSA-N
XLogP1.70
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 57396966) is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNC2)CNC3=O)ccn1)c1ccccn1.
What is the InChIKey of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KUHJGHADZLHBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29).
What are the key properties of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide?
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 57396966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).