2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide

C19H28N6O3 — CID 56739428

About 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 56739428) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
• PubChem CID: 56739428
• Molecular Formula: C19H28N6O3
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.22
• IUPAC Name: 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
• InChI: InChI=1S/C19H28N6O3/c1-12-14(16(26)23-18(28)21-12)11-24-9-6-13(7-10-24)25-15(5-8-20-25)22-17(27)19(2,3)4/h5,8,13H,6-7,9-11H2,1-4H3,(H,22,27)(H2,21,23,26,28)
• InChIKey: HIKRDBYPIYJYMS-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 115.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide (CID 56739428) is 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC(n2nccc2NC(=O)C(C)(C)C)CC1.

What is the InChIKey of 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?

The InChIKey is HIKRDBYPIYJYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-12-14(16(26)23-18(28)21-12)11-24-9-6-13(7-10-24)25-15(5-8-20-25)22-17(27)19(2,3)4/h5,8,13H,6-7,9-11H2,1-4H3,(H,22,27)(H2,21,23,26,28).

What are the key properties of 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?

2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 388.47 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[2-[1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 56739428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).