5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C22H27N9O2S — CID 135361970

About 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 135361970) has the molecular formula C22H27N9O2S and a molecular weight of 481.59 g/mol. Its IUPAC name is 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 135361970
• Molecular Formula: C22H27N9O2S
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.20
• IUPAC Name: 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• SMILES: Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(N(C)C)nc4)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C22H27N9O2S/c1-13-9-18(34-29-13)28-21-19(20(23)32)25-11-17(27-21)31-8-4-5-15(12-31)26-22(33)14-6-7-16(24-10-14)30(2)3/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H2,23,32)(H,26,33)(H,27,28)
• InChIKey: UGILCZSERMUKCF-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 142.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 135361970) is 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(N(C)C)nc4)C3)cnc2C(N)=O)sn1.

What is the InChIKey of 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The InChIKey is UGILCZSERMUKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O2S/c1-13-9-18(34-29-13)28-21-19(20(23)32)25-11-17(27-21)31-8-4-5-15(12-31)26-22(33)14-6-7-16(24-10-14)30(2)3/h6-7,9-11,15H,4-5,8,12H2,1-3H3,(H2,23,32)(H,26,33)(H,27,28).

What are the key properties of 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 135361970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).