N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide

C23H27N3O3 — CID 58199036

IUPACN-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)ccn1
InChIInChI=1S/C23H27N3O3/c1-16-13-17(7-10-24-16)22(27)25-19-5-6-21-18(14-19)15-28-23(29-21)8-11-26(12-9-23)20-3-2-4-20/h5-7,10,13-14,20H,2-4,8-9,11-12,15H2,1H3,(H,25,27)
InChIKeyUKXQSYVDEGTJLO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.90
Rot. Bonds3

About N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide

N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide (PubChem CID 58199036) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide
PubChem CID58199036
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)ccn1
InChIInChI=1S/C23H27N3O3/c1-16-13-17(7-10-24-16)22(27)25-19-5-6-21-18(14-19)15-28-23(29-21)8-11-26(12-9-23)20-3-2-4-20/h5-7,10,13-14,20H,2-4,8-9,11-12,15H2,1H3,(H,25,27)
InChIKeyUKXQSYVDEGTJLO-UHFFFAOYSA-N
XLogP3.90
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide (CID 58199036) is N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)ccn1.
What is the InChIKey of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide?
The InChIKey is UKXQSYVDEGTJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-13-17(7-10-24-16)22(27)25-19-5-6-21-18(14-19)15-28-23(29-21)8-11-26(12-9-23)20-3-2-4-20/h5-7,10,13-14,20H,2-4,8-9,11-12,15H2,1H3,(H,25,27).
What are the key properties of N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide?
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 58199036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).