N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide

C21H23N5O3S — CID 59406525

About N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 59406525) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide
• PubChem CID: 59406525
• Molecular Formula: C21H23N5O3S
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.15
• IUPAC Name: N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide
• SMILES: Nc1nc2ccc(CNC(=O)c3cccc(C(=O)N4CCCC(CO)C4)n3)cc2s1
• InChI: InChI=1S/C21H23N5O3S/c22-21-25-15-7-6-13(9-18(15)30-21)10-23-19(28)16-4-1-5-17(24-16)20(29)26-8-2-3-14(11-26)12-27/h1,4-7,9,14,27H,2-3,8,10-12H2,(H2,22,25)(H,23,28)
• InChIKey: MFDYNTDRGHOKRO-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 121.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide?

The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 59406525) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide is Nc1nc2ccc(CNC(=O)c3cccc(C(=O)N4CCCC(CO)C4)n3)cc2s1.

What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide?

The InChIKey is MFDYNTDRGHOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c22-21-25-15-7-6-13(9-18(15)30-21)10-23-19(28)16-4-1-5-17(24-16)20(29)26-8-2-3-14(11-26)12-27/h1,4-7,9,14,27H,2-3,8,10-12H2,(H2,22,25)(H,23,28).

What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide?

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 59406525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).