4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide

C26H33N3O3 — CID 58199212

IUPAC4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccn1
InChIInChI=1S/C26H33N3O3/c1-28(2)25(30)23-16-19(9-13-27-23)18-31-22-6-7-24-20(17-22)8-10-26(32-24)11-14-29(15-12-26)21-4-3-5-21/h6-7,9,13,16-17,21H,3-5,8,10-12,14-15,18H2,1-2H3
InChIKeyBGJTUEIIZVSDSH-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.07
Rot. Bonds5

About 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide

4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 58199212) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID58199212
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccn1
InChIInChI=1S/C26H33N3O3/c1-28(2)25(30)23-16-19(9-13-27-23)18-31-22-6-7-24-20(17-22)8-10-26(32-24)11-14-29(15-12-26)21-4-3-5-21/h6-7,9,13,16-17,21H,3-5,8,10-12,14-15,18H2,1-2H3
InChIKeyBGJTUEIIZVSDSH-UHFFFAOYSA-N
XLogP4.07
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide (CID 58199212) is 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccn1.
What is the InChIKey of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is BGJTUEIIZVSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-28(2)25(30)23-16-19(9-13-27-23)18-31-22-6-7-24-20(17-22)8-10-26(32-24)11-14-29(15-12-26)21-4-3-5-21/h6-7,9,13,16-17,21H,3-5,8,10-12,14-15,18H2,1-2H3.
What are the key properties of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide?
4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 58199212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).