N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide

C23H28F2N4O3 — CID 164734906

About N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide

N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 164734906) has the molecular formula C23H28F2N4O3 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
• PubChem CID: 164734906
• Molecular Formula: C23H28F2N4O3
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)C(C)(c2ccc(=O)[nH]c2)C1
• InChI: InChI=1S/C23H28F2N4O3/c1-15(21(31)28-19-7-6-18(12-26-19)32-13-16-3-4-16)29-10-9-23(24,25)22(2,14-29)17-5-8-20(30)27-11-17/h5-8,11-12,15-16H,3-4,9-10,13-14H2,1-2H3,(H,27,30)(H,26,28,31)
• InChIKey: MAGRCNQHJJXFMF-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?

The IUPAC name of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (CID 164734906) is N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

What is the SMILES notation for N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?

The canonical SMILES for N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)C(C)(c2ccc(=O)[nH]c2)C1.

What is the InChIKey of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?

The InChIKey is MAGRCNQHJJXFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O3/c1-15(21(31)28-19-7-6-18(12-26-19)32-13-16-3-4-16)29-10-9-23(24,25)22(2,14-29)17-5-8-20(30)27-11-17/h5-8,11-12,15-16H,3-4,9-10,13-14H2,1-2H3,(H,27,30)(H,26,28,31).

What are the key properties of N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?

N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 446.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164734906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).