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

C21H21ClN4O2S — CID 175859708

IUPAC3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1CCC(Oc2cnc(C(N)=O)c(-c3nc(-c4ccccc4Cl)cs3)c2)CC1
InChIInChI=1S/C21H21ClN4O2S/c1-26-8-6-13(7-9-26)28-14-10-16(19(20(23)27)24-11-14)21-25-18(12-29-21)15-4-2-3-5-17(15)22/h2-5,10-13H,6-9H2,1H3,(H2,23,27)
InChIKeyWVLFXFIINMDZCE-UHFFFAOYSA-N
MW428.95 g/mol
LogP4.10
Rot. Bonds5

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

3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 175859708) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID175859708
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC Name3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1CCC(Oc2cnc(C(N)=O)c(-c3nc(-c4ccccc4Cl)cs3)c2)CC1
InChIInChI=1S/C21H21ClN4O2S/c1-26-8-6-13(7-9-26)28-14-10-16(19(20(23)27)24-11-14)21-25-18(12-29-21)15-4-2-3-5-17(15)22/h2-5,10-13H,6-9H2,1H3,(H2,23,27)
InChIKeyWVLFXFIINMDZCE-UHFFFAOYSA-N
XLogP4.10
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]pyridine-2-carboxamide
CID 175867074
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 162386957
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 175859673
4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
3-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 175867067
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 162386847
5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 171572533
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
N'-hydroxy-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboximidamide
CID 136990869
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 175859708) is 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide is CN1CCC(Oc2cnc(C(N)=O)c(-c3nc(-c4ccccc4Cl)cs3)c2)CC1.
What is the InChIKey of 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is WVLFXFIINMDZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c1-26-8-6-13(7-9-26)28-14-10-16(19(20(23)27)24-11-14)21-25-18(12-29-21)15-4-2-3-5-17(15)22/h2-5,10-13H,6-9H2,1H3,(H2,23,27).
What are the key properties of 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 428.95 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 175859708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).