3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide

C22H35N7O — CID 53174431

About 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 53174431) has the molecular formula C22H35N7O and a molecular weight of 413.57 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
• PubChem CID: 53174431
• Molecular Formula: C22H35N7O
• Molecular Weight: 413.57 g/mol
• Exact Mass: 413.29
• IUPAC Name: 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
• SMILES: CCNc1cc(N2CCCC(CCC(=O)NC(C)c3c(C)nn(C)c3C)C2)ncn1
• InChI: InChI=1S/C22H35N7O/c1-6-23-19-12-20(25-14-24-19)29-11-7-8-18(13-29)9-10-21(30)26-15(2)22-16(3)27-28(5)17(22)4/h12,14-15,18H,6-11,13H2,1-5H3,(H,26,30)(H,23,24,25)
• InChIKey: YDCKLNKXWJJZIK-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.57
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?

The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (CID 53174431) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.

What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?

The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is CCNc1cc(N2CCCC(CCC(=O)NC(C)c3c(C)nn(C)c3C)C2)ncn1.

What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?

The InChIKey is YDCKLNKXWJJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N7O/c1-6-23-19-12-20(25-14-24-19)29-11-7-8-18(13-29)9-10-21(30)26-15(2)22-16(3)27-28(5)17(22)4/h12,14-15,18H,6-11,13H2,1-5H3,(H,26,30)(H,23,24,25).

What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 413.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 53174431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).