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6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

C27H30N4O3S — CID 118527021

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCC[C@H]1C(=O)c2cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc2OC12CCNCC2
InChIInChI=1S/C27H30N4O3S/c1-2-3-4-22-25(32)21-13-18(6-8-24(21)34-27(22)9-11-28-12-10-27)23-7-5-19(14-30-23)26(33)31-16-20-15-29-17-35-20/h5-8,13-15,17,22,28H,2-4,9-12,16H2,1H3,(H,31,33)/t22-/m0/s1
InChIKeyFSTVUXSHXJRQTR-QFIPXVFZSA-N
MW490.63 g/mol
LogP4.64
Rot. Bonds7

About 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 118527021) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID118527021
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCC[C@H]1C(=O)c2cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc2OC12CCNCC2
InChIInChI=1S/C27H30N4O3S/c1-2-3-4-22-25(32)21-13-18(6-8-24(21)34-27(22)9-11-28-12-10-27)23-7-5-19(14-30-23)26(33)31-16-20-15-29-17-35-20/h5-8,13-15,17,22,28H,2-4,9-12,16H2,1H3,(H,31,33)/t22-/m0/s1
InChIKeyFSTVUXSHXJRQTR-QFIPXVFZSA-N
XLogP4.64
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 118527021) is 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is CCCC[C@H]1C(=O)c2cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc2OC12CCNCC2.
What is the InChIKey of 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FSTVUXSHXJRQTR-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-2-3-4-22-25(32)21-13-18(6-8-24(21)34-27(22)9-11-28-12-10-27)23-7-5-19(14-30-23)26(33)31-16-20-15-29-17-35-20/h5-8,13-15,17,22,28H,2-4,9-12,16H2,1H3,(H,31,33)/t22-/m0/s1.
What are the key properties of 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118527021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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