6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

C26H29N5O3S — CID 118534548

IUPAC6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCc4cncs4)cn3)cc1C(=O)N2C
InChIInChI=1S/C26H29N5O3S/c1-17(2)31-10-8-26(9-11-31)30(3)25(33)21-12-18(5-7-23(21)34-26)22-6-4-19(13-28-22)24(32)29-15-20-14-27-16-35-20/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H,29,32)
InChIKeyQQYHHYVSNRTNMQ-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.80
Rot. Bonds5

About 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide

6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 118534548) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID118534548
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCc4cncs4)cn3)cc1C(=O)N2C
InChIInChI=1S/C26H29N5O3S/c1-17(2)31-10-8-26(9-11-31)30(3)25(33)21-12-18(5-7-23(21)34-26)22-6-4-19(13-28-22)24(32)29-15-20-14-27-16-35-20/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H,29,32)
InChIKeyQQYHHYVSNRTNMQ-UHFFFAOYSA-N
XLogP3.80
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide (CID 118534548) is 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is CC(C)N1CCC2(CC1)Oc1ccc(-c3ccc(C(=O)NCc4cncs4)cn3)cc1C(=O)N2C.
What is the InChIKey of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QQYHHYVSNRTNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-17(2)31-10-8-26(9-11-31)30(3)25(33)21-12-18(5-7-23(21)34-26)22-6-4-19(13-28-22)24(32)29-15-20-14-27-16-35-20/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H,29,32).
What are the key properties of 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide?
6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-4-oxo-1'-propan-2-ylspiro[1,3-benzoxazine-2,4'-piperidine]-6-yl)-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118534548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).