N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide

C21H21ClN4O4S2 — CID 162386957

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(Oc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc2)CC1
InChIInChI=1S/C21H21ClN4O4S2/c1-32(28,29)26-10-8-14(9-11-26)30-15-6-7-18(23-12-15)20(27)25-21-24-19(13-31-21)16-4-2-3-5-17(16)22/h2-7,12-14H,8-11H2,1H3,(H,24,25,27)
InChIKeyDLZFMKJGJIRFOK-UHFFFAOYSA-N
MW493.01 g/mol
LogP3.91
Rot. Bonds6

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 162386957) has the molecular formula C21H21ClN4O4S2 and a molecular weight of 493.01 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID162386957
Molecular FormulaC21H21ClN4O4S2
Molecular Weight493.01 g/mol
Exact Mass492.07
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(Oc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc2)CC1
InChIInChI=1S/C21H21ClN4O4S2/c1-32(28,29)26-10-8-14(9-11-26)30-15-6-7-18(23-12-15)20(27)25-21-24-19(13-31-21)16-4-2-3-5-17(16)22/h2-7,12-14H,8-11H2,1H3,(H,24,25,27)
InChIKeyDLZFMKJGJIRFOK-UHFFFAOYSA-N
XLogP3.91
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 162387115
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
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]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2532699
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 175859708
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-[2-(2-methoxyacetyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridine-2-carboxamide
CID 162386884
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 162386957) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide is CS(=O)(=O)N1CCC(Oc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)nc2)CC1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is DLZFMKJGJIRFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S2/c1-32(28,29)26-10-8-14(9-11-26)30-15-6-7-18(23-12-15)20(27)25-21-24-19(13-31-21)16-4-2-3-5-17(16)22/h2-7,12-14H,8-11H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 3.91, 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-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 162386957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).