6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide

C27H29N3O2 — CID 59730327

IUPAC6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCCC4(CCCc5ccccc54)C3)cc2)nc1
InChIInChI=1S/C27H29N3O2/c28-26(31)22-10-13-25(29-17-22)32-23-11-8-20(9-12-23)18-30-16-4-15-27(19-30)14-3-6-21-5-1-2-7-24(21)27/h1-2,5,7-13,17H,3-4,6,14-16,18-19H2,(H2,28,31)
InChIKeyJKXMKNBRTYHFAZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.84
Rot. Bonds5

About 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide

6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 59730327) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
PubChem CID59730327
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CCCC4(CCCc5ccccc54)C3)cc2)nc1
InChIInChI=1S/C27H29N3O2/c28-26(31)22-10-13-25(29-17-22)32-23-11-8-20(9-12-23)18-30-16-4-15-27(19-30)14-3-6-21-5-1-2-7-24(21)27/h1-2,5,7-13,17H,3-4,6,14-16,18-19H2,(H2,28,31)
InChIKeyJKXMKNBRTYHFAZ-UHFFFAOYSA-N
XLogP4.84
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide (CID 59730327) is 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CN3CCCC4(CCCc5ccccc54)C3)cc2)nc1.
What is the InChIKey of 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is JKXMKNBRTYHFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c28-26(31)22-10-13-25(29-17-22)32-23-11-8-20(9-12-23)18-30-16-4-15-27(19-30)14-3-6-21-5-1-2-7-24(21)27/h1-2,5,7-13,17H,3-4,6,14-16,18-19H2,(H2,28,31).
What are the key properties of 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide?
6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).