7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile

C19H19N5O2 — CID 163407700

IUPAC7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile
SMILESCOc1ccc(-c2cnc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)c(C)n1
InChIInChI=1S/C19H19N5O2/c1-12-14(3-4-17(22-12)26-2)13-7-15-16(21-9-13)8-19(18(25)23-15)5-6-24(10-19)11-20/h3-4,7,9H,5-6,8,10H2,1-2H3,(H,23,25)
InChIKeyNBWHXOTYTBBNGA-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.13
Rot. Bonds2

About 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile

7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile (PubChem CID 163407700) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile.

Molecular Properties

Compound Name7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile
PubChem CID163407700
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile
SMILESCOc1ccc(-c2cnc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)c(C)n1
InChIInChI=1S/C19H19N5O2/c1-12-14(3-4-17(22-12)26-2)13-7-15-16(21-9-13)8-19(18(25)23-15)5-6-24(10-19)11-20/h3-4,7,9H,5-6,8,10H2,1-2H3,(H,23,25)
InChIKeyNBWHXOTYTBBNGA-UHFFFAOYSA-N
XLogP2.13
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile?
The IUPAC name of 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile (CID 163407700) is 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile.
What is the SMILES notation for 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile?
The canonical SMILES for 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile is COc1ccc(-c2cnc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)c(C)n1.
What is the InChIKey of 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile?
The InChIKey is NBWHXOTYTBBNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-14(3-4-17(22-12)26-2)13-7-15-16(21-9-13)8-19(18(25)23-15)5-6-24(10-19)11-20/h3-4,7,9H,5-6,8,10H2,1-2H3,(H,23,25).
What are the key properties of 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile?
7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-2-methyl-3-pyridinyl)-2-oxospiro[1,4-dihydro-1,5-naphthyridine-3,3'-pyrrolidine]-1'-carbonitrile is sourced from PubChem (CID 163407700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).