N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide

C22H27N5O3S — CID 156885752

IUPACN-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)c2)CC1
InChIInChI=1S/C22H27N5O3S/c1-27-13-16(11-24-27)19-9-15(10-20(26-19)21-12-23-14-31-21)22(28)25-17-3-5-18(6-4-17)30-8-7-29-2/h9-14,17-18H,3-8H2,1-2H3,(H,25,28)
InChIKeyWKBLUKVFPQWFBO-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.31
Rot. Bonds8

About N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide

N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide (PubChem CID 156885752) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
PubChem CID156885752
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)c2)CC1
InChIInChI=1S/C22H27N5O3S/c1-27-13-16(11-24-27)19-9-15(10-20(26-19)21-12-23-14-31-21)22(28)25-17-3-5-18(6-4-17)30-8-7-29-2/h9-14,17-18H,3-8H2,1-2H3,(H,25,28)
InChIKeyWKBLUKVFPQWFBO-UHFFFAOYSA-N
XLogP3.31
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

US9617282, Example 95
CID 118641364
N-[4-(2-methoxyethoxy)cyclohexyl]-5-(1,3-thiazol-5-yl)-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 156339422
N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 156885909
US9617282, Example 225
CID 90431128
US9617282, Example 169
CID 90431134
US9617282, Example 168
CID 90431135
US9617282, Example 216
CID 90431143
US9617282, Example 215
CID 90431186
US9617282, Example 170
CID 90431290
US9617282, Example 183
CID 118641107
US9617282, Example 197
CID 118641110
US9617282, Example 48
CID 118641146

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide (CID 156885752) is N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide is COCCOC1CCC(NC(=O)c2cc(-c3cnn(C)c3)nc(-c3cncs3)c2)CC1.
What is the InChIKey of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is WKBLUKVFPQWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-27-13-16(11-24-27)19-9-15(10-20(26-19)21-12-23-14-31-21)22(28)25-17-3-5-18(6-4-17)30-8-7-29-2/h9-14,17-18H,3-8H2,1-2H3,(H,25,28).
What are the key properties of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide?
N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1-methylpyrazol-4-yl)-6-(1,3-thiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 156885752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).