1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C35H31N3O4 — CID 25194951

IUPAC1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccc(N3CCCC3=O)cc21
InChIInChI=1S/C35H31N3O4/c39-31-23-35(42-32-14-13-27(22-28(31)32)38-17-7-12-33(38)40)15-18-37(19-16-35)34(41)26-20-29(24-8-3-1-4-9-24)36-30(21-26)25-10-5-2-6-11-25/h1-6,8-11,13-14,20-22H,7,12,15-19,23H2
InChIKeyJIJDLUKRJBEYMN-UHFFFAOYSA-N
MW557.65 g/mol
LogP6.18
Rot. Bonds4

About 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 25194951) has the molecular formula C35H31N3O4 and a molecular weight of 557.65 g/mol. Its IUPAC name is 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID25194951
Molecular FormulaC35H31N3O4
Molecular Weight557.65 g/mol
Exact Mass557.23
IUPAC Name1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccc(N3CCCC3=O)cc21
InChIInChI=1S/C35H31N3O4/c39-31-23-35(42-32-14-13-27(22-28(31)32)38-17-7-12-33(38)40)15-18-37(19-16-35)34(41)26-20-29(24-8-3-1-4-9-24)36-30(21-26)25-10-5-2-6-11-25/h1-6,8-11,13-14,20-22H,7,12,15-19,23H2
InChIKeyJIJDLUKRJBEYMN-UHFFFAOYSA-N
XLogP6.18
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 25194951) is 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccc(N3CCCC3=O)cc21.
What is the InChIKey of 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JIJDLUKRJBEYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O4/c39-31-23-35(42-32-14-13-27(22-28(31)32)38-17-7-12-33(38)40)15-18-37(19-16-35)34(41)26-20-29(24-8-3-1-4-9-24)36-30(21-26)25-10-5-2-6-11-25/h1-6,8-11,13-14,20-22H,7,12,15-19,23H2.
What are the key properties of 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 557.65 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,6-diphenylpyridine-4-carbonyl)-6-(2-oxopyrrolidin-1-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 25194951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).