N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide

C19H32N6O3 — CID 87264176

About N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264176) has the molecular formula C19H32N6O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
• PubChem CID: 87264176
• Molecular Formula: C19H32N6O3
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.25
• IUPAC Name: N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
• SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(C)c(N2CCCC2)n1
• InChI: InChI=1S/C19H32N6O3/c1-4-5-6-9-16(12-25(28)13-26)18(27)22-23-19-20-15(3)14(2)17(21-19)24-10-7-8-11-24/h13,16,28H,4-12H2,1-3H3,(H,22,27)(H,20,21,23)/t16-/m1/s1
• InChIKey: CWKGKPYPJKQIQW-MRXNPFEDSA-N
• XLogP: 2.18
• TPSA: 110.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?

The IUPAC name of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264176) is N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

What is the SMILES notation for N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?

The canonical SMILES for N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(C)c(N2CCCC2)n1.

What is the InChIKey of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?

The InChIKey is CWKGKPYPJKQIQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N6O3/c1-4-5-6-9-16(12-25(28)13-26)18(27)22-23-19-20-15(3)14(2)17(21-19)24-10-7-8-11-24/h13,16,28H,4-12H2,1-3H3,(H,22,27)(H,20,21,23)/t16-/m1/s1.

What are the key properties of N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?

N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 392.50 g/mol, XLogP of 2.18, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).