N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide

C28H29N5OS — CID 91153862

About N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide

N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 91153862) has the molecular formula C28H29N5OS and a molecular weight of 483.64 g/mol. Its IUPAC name is N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
• PubChem CID: 91153862
• Molecular Formula: C28H29N5OS
• Molecular Weight: 483.64 g/mol
• Exact Mass: 483.21
• IUPAC Name: N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1N(c1cccnc1)c1nccs1
• InChI: InChI=1S/C28H29N5OS/c1-21-7-12-24(18-26(21)33(28-30-14-17-35-28)25-6-5-13-29-19-25)31-27(34)23-10-8-22(9-11-23)20-32-15-3-2-4-16-32/h5-14,17-19H,2-4,15-16,20H2,1H3,(H,31,34)
• InChIKey: LHNONJYKISYIRQ-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.64
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide?

The IUPAC name of N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide (CID 91153862) is N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide.

What is the SMILES notation for N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide?

The canonical SMILES for N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1N(c1cccnc1)c1nccs1.

What is the InChIKey of N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide?

The InChIKey is LHNONJYKISYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5OS/c1-21-7-12-24(18-26(21)33(28-30-14-17-35-28)25-6-5-13-29-19-25)31-27(34)23-10-8-22(9-11-23)20-32-15-3-2-4-16-32/h5-14,17-19H,2-4,15-16,20H2,1H3,(H,31,34).

What are the key properties of N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide?

N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 483.64 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 91153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).