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

C21H15ClN4O2S — CID 176858471

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

1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 176858471) has the molecular formula C21H15ClN4O2S and a molecular weight of 422.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
• PubChem CID: 176858471
• Molecular Formula: C21H15ClN4O2S
• Molecular Weight: 422.90 g/mol
• Exact Mass: 422.06
• IUPAC Name: 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
• SMILES: Cc1cccnc1-c1csc(NC(=O)c2ccc(=O)n(-c3cccc(Cl)c3)c2)n1
• InChI: InChI=1S/C21H15ClN4O2S/c1-13-4-3-9-23-19(13)17-12-29-21(24-17)25-20(28)14-7-8-18(27)26(11-14)16-6-2-5-15(22)10-16/h2-12H,1H3,(H,24,25,28)
• InChIKey: PEBGNYBSWUDMJT-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.90
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide (CID 176858471) is 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2ccc(=O)n(-c3cccc(Cl)c3)c2)n1.

What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

The InChIKey is PEBGNYBSWUDMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2S/c1-13-4-3-9-23-19(13)17-12-29-21(24-17)25-20(28)14-7-8-18(27)26(11-14)16-6-2-5-15(22)10-16/h2-12H,1H3,(H,24,25,28).

What are the key properties of 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide?

1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 422.90 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 176858471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).