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

C23H22N4O3S — CID 118526830

IUPAC6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cncs1)c1ccc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)nc1
InChIInChI=1S/C23H22N4O3S/c28-20-10-23(5-7-24-8-6-23)30-21-4-2-15(9-18(20)21)19-3-1-16(11-26-19)22(29)27-13-17-12-25-14-31-17/h1-4,9,11-12,14,24H,5-8,10,13H2,(H,27,29)
InChIKeyKHSRMUAHHYCYEP-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.22
Rot. Bonds4

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

6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 118526830) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID118526830
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cncs1)c1ccc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)nc1
InChIInChI=1S/C23H22N4O3S/c28-20-10-23(5-7-24-8-6-23)30-21-4-2-15(9-18(20)21)19-3-1-16(11-26-19)22(29)27-13-17-12-25-14-31-17/h1-4,9,11-12,14,24H,5-8,10,13H2,(H,27,29)
InChIKeyKHSRMUAHHYCYEP-UHFFFAOYSA-N
XLogP3.22
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 118526830) is 6-(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-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cncs1)c1ccc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)nc1.
What is the InChIKey of 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KHSRMUAHHYCYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-20-10-23(5-7-24-8-6-23)30-21-4-2-15(9-18(20)21)19-3-1-16(11-26-19)22(29)27-13-17-12-25-14-31-17/h1-4,9,11-12,14,24H,5-8,10,13H2,(H,27,29).
What are the key properties of 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118526830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).