N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide

C30H43N7O2 — CID 72711279

About N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide

N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 72711279) has the molecular formula C30H43N7O2 and a molecular weight of 533.72 g/mol. Its IUPAC name is N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
• PubChem CID: 72711279
• Molecular Formula: C30H43N7O2
• Molecular Weight: 533.72 g/mol
• Exact Mass: 533.35
• IUPAC Name: N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
• SMILES: Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccnc2)CC1
• InChI: InChI=1S/C30H43N7O2/c1-21(11-15-32-29(38)28-22(2)33-20-34-23(28)3)35-16-12-26(13-17-35)37-27(24-8-7-14-31-18-24)19-36(30(37)39)25-9-5-4-6-10-25/h7-8,14,18,20-21,25-27H,4-6,9-13,15-17,19H2,1-3H3,(H,32,38)
• InChIKey: NAECBSHMFGJZKH-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 94.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.72
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

The IUPAC name of N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 72711279) is N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

The canonical SMILES for N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccnc2)CC1.

What is the InChIKey of N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

The InChIKey is NAECBSHMFGJZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N7O2/c1-21(11-15-32-29(38)28-22(2)33-20-34-23(28)3)35-16-12-26(13-17-35)37-27(24-8-7-14-31-18-24)19-36(30(37)39)25-9-5-4-6-10-25/h7-8,14,18,20-21,25-27H,4-6,9-13,15-17,19H2,1-3H3,(H,32,38).

What are the key properties of N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide?

N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 533.72 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 72711279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).