3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide

C20H29N5O3 — CID 120578609

About 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120578609) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide
• PubChem CID: 120578609
• Molecular Formula: C20H29N5O3
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.23
• IUPAC Name: 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC1CNC(=O)CCN
• InChI: InChI=1S/C20H29N5O3/c1-13-16(14(2)24-20(28)17(13)11-22)6-7-19(27)25-10-4-3-5-15(25)12-23-18(26)8-9-21/h15H,3-10,12,21H2,1-2H3,(H,23,26)(H,24,28)
• InChIKey: YIGHVPFYPMXXAK-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 132.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

The IUPAC name of 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide (CID 120578609) is 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide.

What is the SMILES notation for 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

The canonical SMILES for 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC1CNC(=O)CCN.

What is the InChIKey of 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

The InChIKey is YIGHVPFYPMXXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-13-16(14(2)24-20(28)17(13)11-22)6-7-19(27)25-10-4-3-5-15(25)12-23-18(26)8-9-21/h15H,3-10,12,21H2,1-2H3,(H,23,26)(H,24,28).

What are the key properties of 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide?

3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).