N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C25H25N5OS — CID 154695211

About N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 154695211) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
• PubChem CID: 154695211
• Molecular Formula: C25H25N5OS
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
• SMILES: O=C(Nc1nc(N2CCCC(c3ccccc3)C2)cs1)c1cccn1Cc1ccncc1
• InChI: InChI=1S/C25H25N5OS/c31-24(22-9-5-14-29(22)16-19-10-12-26-13-11-19)28-25-27-23(18-32-25)30-15-4-8-21(17-30)20-6-2-1-3-7-20/h1-3,5-7,9-14,18,21H,4,8,15-17H2,(H,27,28,31)
• InChIKey: RZGWZINZLWCXOH-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

The IUPAC name of N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 154695211) is N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

What is the SMILES notation for N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

The canonical SMILES for N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1nc(N2CCCC(c3ccccc3)C2)cs1)c1cccn1Cc1ccncc1.

What is the InChIKey of N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

The InChIKey is RZGWZINZLWCXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c31-24(22-9-5-14-29(22)16-19-10-12-26-13-11-19)28-25-27-23(18-32-25)30-15-4-8-21(17-30)20-6-2-1-3-7-20/h1-3,5-7,9-14,18,21H,4,8,15-17H2,(H,27,28,31).

What are the key properties of N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?

N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 443.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-phenylpiperidin-1-yl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154695211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).