N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

C20H20ClN3O2S — CID 46970113

IUPACN-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H20ClN3O2S/c1-12-10-13(2)24(3)20(26)18(12)19(25)22-9-8-17-23-16(11-27-17)14-4-6-15(21)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyIGLMYCUCDCMDEI-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.75
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 46970113) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID46970113
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)NCCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C20H20ClN3O2S/c1-12-10-13(2)24(3)20(26)18(12)19(25)22-9-8-17-23-16(11-27-17)14-4-6-15(21)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyIGLMYCUCDCMDEI-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 46970113) is N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)NCCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is IGLMYCUCDCMDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-12-10-13(2)24(3)20(26)18(12)19(25)22-9-8-17-23-16(11-27-17)14-4-6-15(21)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 46970113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).