5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide

C20H19N5O2 — CID 137378578

IUPAC5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cn1
InChIInChI=1S/C20H19N5O2/c1-22-18(26)17-5-3-14(10-23-17)13-2-4-16-15(8-13)9-20(19(27)24-16)6-7-25(11-20)12-21/h2-5,8,10H,6-7,9,11H2,1H3,(H,22,26)(H,24,27)
InChIKeyXLGFQPFROQWIMH-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.78
Rot. Bonds2

About 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide

5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide (PubChem CID 137378578) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide
PubChem CID137378578
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cn1
InChIInChI=1S/C20H19N5O2/c1-22-18(26)17-5-3-14(10-23-17)13-2-4-16-15(8-13)9-20(19(27)24-16)6-7-25(11-20)12-21/h2-5,8,10H,6-7,9,11H2,1H3,(H,22,26)(H,24,27)
InChIKeyXLGFQPFROQWIMH-UHFFFAOYSA-N
XLogP1.78
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide (CID 137378578) is 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cn1.
What is the InChIKey of 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is XLGFQPFROQWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-22-18(26)17-5-3-14(10-23-17)13-2-4-16-15(8-13)9-20(19(27)24-16)6-7-25(11-20)12-21/h2-5,8,10H,6-7,9,11H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide?
5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1'-cyano-2-oxospiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-6-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 137378578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).