N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide

C31H33FN6O3 — CID 175395267

About N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide

N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide (PubChem CID 175395267) has the molecular formula C31H33FN6O3 and a molecular weight of 556.64 g/mol. Its IUPAC name is N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide
• PubChem CID: 175395267
• Molecular Formula: C31H33FN6O3
• Molecular Weight: 556.64 g/mol
• Exact Mass: 556.26
• IUPAC Name: N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide
• SMILES: CCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cn3)CC2)cc1NC(=O)c1ccc(C2CNCCO2)nc1
• InChI: InChI=1S/C31H33FN6O3/c1-3-22-14-20(2)24(30(40)38-11-8-31(32,9-12-38)28-7-4-21(16-33)17-36-28)15-26(22)37-29(39)23-5-6-25(35-18-23)27-19-34-10-13-41-27/h4-7,14-15,17-18,27,34H,3,8-13,19H2,1-2H3,(H,37,39)
• InChIKey: QXFBCVMNMBKZBV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 120.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.64
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide (CID 175395267) is N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide is CCc1cc(C)c(C(=O)N2CCC(F)(c3ccc(C#N)cn3)CC2)cc1NC(=O)c1ccc(C2CNCCO2)nc1.

What is the InChIKey of N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide?

The InChIKey is QXFBCVMNMBKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN6O3/c1-3-22-14-20(2)24(30(40)38-11-8-31(32,9-12-38)28-7-4-21(16-33)17-36-28)15-26(22)37-29(39)23-5-6-25(35-18-23)27-19-34-10-13-41-27/h4-7,14-15,17-18,27,34H,3,8-13,19H2,1-2H3,(H,37,39).

What are the key properties of N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide?

N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide has a molecular weight of 556.64 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carbonyl]-2-ethyl-4-methylphenyl]-6-morpholin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 175395267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).