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

C22H22N6O2 — CID 57393462

IUPACN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1ccncc1
InChIInChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)
InChIKeyUSWNIDNQZMFUOA-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.09
Rot. Bonds3

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

N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 57393462) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide
PubChem CID57393462
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1ccncc1
InChIInChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)
InChIKeyUSWNIDNQZMFUOA-UHFFFAOYSA-N
XLogP2.09
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide (CID 57393462) is N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide is O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1ccncc1.
What is the InChIKey of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is USWNIDNQZMFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29).
What are the key properties of N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide?
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.09, 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-7,4'-piperidine]-2-yl)-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 57393462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).