1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide

C23H19ClN4O2S — CID 176859743

IUPAC1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3nc(-c4ccc(C)c(C)n4)cs3)ccc2=O)c(Cl)c1
InChIInChI=1S/C23H19ClN4O2S/c1-13-4-8-20(17(24)10-13)28-11-16(6-9-21(28)29)22(30)27-23-26-19(12-31-23)18-7-5-14(2)15(3)25-18/h4-12H,1-3H3,(H,26,27,30)
InChIKeyJPXWOMAONHGITH-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.19
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide

1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 176859743) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
PubChem CID176859743
Molecular FormulaC23H19ClN4O2S
Molecular Weight450.95 g/mol
Exact Mass450.09
IUPAC Name1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3nc(-c4ccc(C)c(C)n4)cs3)ccc2=O)c(Cl)c1
InChIInChI=1S/C23H19ClN4O2S/c1-13-4-8-20(17(24)10-13)28-11-16(6-9-21(28)29)22(30)27-23-26-19(12-31-23)18-7-5-14(2)15(3)25-18/h4-12H,1-3H3,(H,26,27,30)
InChIKeyJPXWOMAONHGITH-UHFFFAOYSA-N
XLogP5.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859711
2-(2,5-dimethylphenyl)-1,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]isoindole-5-carboxamide
CID 16550154
1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176858471
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2-(2,4-dimethylphenyl)-1,3-dioxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108764600
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838910
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26073381
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide (CID 176859743) is 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3nc(-c4ccc(C)c(C)n4)cs3)ccc2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is JPXWOMAONHGITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c1-13-4-8-20(17(24)10-13)28-11-16(6-9-21(28)29)22(30)27-23-26-19(12-31-23)18-7-5-14(2)15(3)25-18/h4-12H,1-3H3,(H,26,27,30).
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?
1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 450.95 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-[4-(5,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 176859743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).