(3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide

C₁₈H₁₇FN₆OS — CID 166727404

About (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide

(3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (PubChem CID 166727404) has the molecular formula C₁₈H₁₇FN₆OS and a molecular weight of 384.44 g/mol. Its IUPAC name is (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
• PubChem CID: 166727404
• Molecular Formula: C₁₈H₁₇FN₆OS
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.12
• IUPAC Name: (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
• SMILES: Nc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CC[C@@H](c2ncccn2)C1
• InChI: InChI=1S/C18H17FN6OS/c19-15-5-4-14(27-15)13-3-2-12(20)17(23-13)24-18(26)25-9-6-11(10-25)16-21-7-1-8-22-16/h1-5,7-8,11H,6,9-10,20H2,(H,23,24,26)/t11-/m1/s1
• InChIKey: LIMLCCMRCLLAAC-LLVKDONJSA-N
• XLogP: 3.34
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?

The IUPAC name of (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide (CID 166727404) is (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?

The canonical SMILES for (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is Nc1ccc(-c2ccc(F)s2)nc1NC(=O)N1CC[C@@H](c2ncccn2)C1.

What is the InChIKey of (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?

The InChIKey is LIMLCCMRCLLAAC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN6OS/c19-15-5-4-14(27-15)13-3-2-12(20)17(23-13)24-18(26)25-9-6-11(10-25)16-21-7-1-8-22-16/h1-5,7-8,11H,6,9-10,20H2,(H,23,24,26)/t11-/m1/s1.

What are the key properties of (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide?

(3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[3-amino-6-(5-fluorothiophen-2-yl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 166727404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166727404 — identifiers, structure, computed properties (public domain)

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