N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide

C35H33N3O4 — CID 44571701

IUPACN-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2
InChIInChI=1S/C35H33N3O4/c1-2-9-33(40)36-27-14-15-32-28(22-27)31(39)23-35(42-32)16-18-38(19-17-35)34(41)26-20-29(24-10-5-3-6-11-24)37-30(21-26)25-12-7-4-8-13-25/h3-8,10-15,20-22H,2,9,16-19,23H2,1H3,(H,36,40)
InChIKeyNZTYKFIXTGABAT-UHFFFAOYSA-N
MW559.67 g/mol
LogP6.79
Rot. Bonds6

About N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide

N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide (PubChem CID 44571701) has the molecular formula C35H33N3O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide.

Molecular Properties

Compound NameN-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide
PubChem CID44571701
Molecular FormulaC35H33N3O4
Molecular Weight559.67 g/mol
Exact Mass559.25
IUPAC NameN-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2
InChIInChI=1S/C35H33N3O4/c1-2-9-33(40)36-27-14-15-32-28(22-27)31(39)23-35(42-32)16-18-38(19-17-35)34(41)26-20-29(24-10-5-3-6-11-24)37-30(21-26)25-12-7-4-8-13-25/h3-8,10-15,20-22H,2,9,16-19,23H2,1H3,(H,36,40)
InChIKeyNZTYKFIXTGABAT-UHFFFAOYSA-N
XLogP6.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide?
The IUPAC name of N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide (CID 44571701) is N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide.
What is the SMILES notation for N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide?
The canonical SMILES for N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)O2.
What is the InChIKey of N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide?
The InChIKey is NZTYKFIXTGABAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3O4/c1-2-9-33(40)36-27-14-15-32-28(22-27)31(39)23-35(42-32)16-18-38(19-17-35)34(41)26-20-29(24-10-5-3-6-11-24)37-30(21-26)25-12-7-4-8-13-25/h3-8,10-15,20-22H,2,9,16-19,23H2,1H3,(H,36,40).
What are the key properties of N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide?
N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide has a molecular weight of 559.67 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(2,6-diphenylpyridine-4-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]butanamide is sourced from PubChem (CID 44571701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).