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

C27H30N4O3S — CID 118527020

IUPAC6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2
InChIInChI=1S/C27H30N4O3S/c1-2-3-10-31-11-8-27(9-12-31)14-24(32)22-13-19(5-7-25(22)34-27)23-6-4-20(15-29-23)26(33)30-17-21-16-28-18-35-21/h4-7,13,15-16,18H,2-3,8-12,14,17H2,1H3,(H,30,33)
InChIKeyYHDMQAPEIJWQNI-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.74
Rot. Bonds7

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

6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 118527020) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID118527020
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2
InChIInChI=1S/C27H30N4O3S/c1-2-3-10-31-11-8-27(9-12-31)14-24(32)22-13-19(5-7-25(22)34-27)23-6-4-20(15-29-23)26(33)30-17-21-16-28-18-35-21/h4-7,13,15-16,18H,2-3,8-12,14,17H2,1H3,(H,30,33)
InChIKeyYHDMQAPEIJWQNI-UHFFFAOYSA-N
XLogP4.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 118527020) is 6-(1'-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-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is CCCCN1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4cncs4)cn3)ccc1O2.
What is the InChIKey of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is YHDMQAPEIJWQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-2-3-10-31-11-8-27(9-12-31)14-24(32)22-13-19(5-7-25(22)34-27)23-6-4-20(15-29-23)26(33)30-17-21-16-28-18-35-21/h4-7,13,15-16,18H,2-3,8-12,14,17H2,1H3,(H,30,33).
What are the key properties of 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-(1'-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 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1'-butyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118527020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).