4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide

C25H29N7O3S — CID 66989148

About 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 66989148) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 66989148
• Molecular Formula: C25H29N7O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.21
• IUPAC Name: 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
• SMILES: CCOc1nc(C(=O)NCC2(OC)CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc(N)c1C#N
• InChI: InChI=1S/C25H29N7O3S/c1-3-35-23-18(13-26)19(27)12-21(31-23)22(33)30-16-25(34-2)7-10-32(11-8-25)15-17-14-29-24(36-17)20-6-4-5-9-28-20/h4-6,9,12,14H,3,7-8,10-11,15-16H2,1-2H3,(H2,27,31)(H,30,33)
• InChIKey: NPWFSVCVXDHLLG-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 139.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 66989148) is 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCC2(OC)CCN(Cc3cnc(-c4ccccn4)s3)CC2)cc(N)c1C#N.

What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

The InChIKey is NPWFSVCVXDHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-3-35-23-18(13-26)19(27)12-21(31-23)22(33)30-16-25(34-2)7-10-32(11-8-25)15-17-14-29-24(36-17)20-6-4-5-9-28-20/h4-6,9,12,14H,3,7-8,10-11,15-16H2,1-2H3,(H2,27,31)(H,30,33).

What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?

4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-cyano-6-ethoxy-N-[[4-methoxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66989148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).