N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide

C23H22ClN5O3S — CID 162386884

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide
SMILESCOCC(=O)N1CC2(C1)CN(c1ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc1)C2
InChIInChI=1S/C23H22ClN5O3S/c1-32-9-20(30)29-13-23(14-29)11-28(12-23)15-6-7-18(25-8-15)21(31)27-22-26-19(10-33-22)16-4-2-3-5-17(16)24/h2-8,10H,9,11-14H2,1H3,(H,26,27,31)
InChIKeyOFDOLMJMBTYOLC-UHFFFAOYSA-N
MW483.98 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide (PubChem CID 162386884) has the molecular formula C23H22ClN5O3S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide
PubChem CID162386884
Molecular FormulaC23H22ClN5O3S
Molecular Weight483.98 g/mol
Exact Mass483.11
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide
SMILESCOCC(=O)N1CC2(C1)CN(c1ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc1)C2
InChIInChI=1S/C23H22ClN5O3S/c1-32-9-20(30)29-13-23(14-29)11-28(12-23)15-6-7-18(25-8-15)21(31)27-22-26-19(10-33-22)16-4-2-3-5-17(16)24/h2-8,10H,9,11-14H2,1H3,(H,26,27,31)
InChIKeyOFDOLMJMBTYOLC-UHFFFAOYSA-N
XLogP3.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 6-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 162386980
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 162387018
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxypyrazine-2-carboxamide
CID 162386970
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 162387115
tert-butyl 4-[6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 162386948
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 162386859
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 162386957
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-piperazin-1-ylbenzamide
CID 162387037
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 19197399

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide (CID 162386884) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide is COCC(=O)N1CC2(C1)CN(c1ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc1)C2.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide?
The InChIKey is OFDOLMJMBTYOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3S/c1-32-9-20(30)29-13-23(14-29)11-28(12-23)15-6-7-18(25-8-15)21(31)27-22-26-19(10-33-22)16-4-2-3-5-17(16)24/h2-8,10H,9,11-14H2,1H3,(H,26,27,31).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162386884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).