4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide

C26H25N7OS — CID 58440217

About 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide (PubChem CID 58440217) has the molecular formula C26H25N7OS and a molecular weight of 483.60 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 58440217
• Molecular Formula: C26H25N7OS
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.18
• IUPAC Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide
• SMILES: Cc1nc2ccc(Cc3cc(NC4CCN(c5ccc(C#N)cn5)CC4)c(C(N)=O)cn3)cc2s1
• InChI: InChI=1S/C26H25N7OS/c1-16-31-22-4-2-17(11-24(22)35-16)10-20-12-23(21(15-29-20)26(28)34)32-19-6-8-33(9-7-19)25-5-3-18(13-27)14-30-25/h2-5,11-12,14-15,19H,6-10H2,1H3,(H2,28,34)(H,29,32)
• InChIKey: SHOXJHNJPAIKCQ-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 120.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide (CID 58440217) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide is Cc1nc2ccc(Cc3cc(NC4CCN(c5ccc(C#N)cn5)CC4)c(C(N)=O)cn3)cc2s1.

What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide?

The InChIKey is SHOXJHNJPAIKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7OS/c1-16-31-22-4-2-17(11-24(22)35-16)10-20-12-23(21(15-29-20)26(28)34)32-19-6-8-33(9-7-19)25-5-3-18(13-27)14-30-25/h2-5,11-12,14-15,19H,6-10H2,1H3,(H2,28,34)(H,29,32).

What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide?

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).