N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C20H29N7O3 — CID 87264079

About N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264079) has the molecular formula C20H29N7O3 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
• PubChem CID: 87264079
• Molecular Formula: C20H29N7O3
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.23
• IUPAC Name: N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
• SMILES: CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(C)c(-c2ccnc(N)c2)n1
• InChI: InChI=1S/C20H29N7O3/c1-4-5-6-7-16(11-27(30)12-28)19(29)25-26-20-23-14(3)13(2)18(24-20)15-8-9-22-17(21)10-15/h8-10,12,16,30H,4-7,11H2,1-3H3,(H2,21,22)(H,25,29)(H,23,24,26)/t16-/m1/s1
• InChIKey: GOGGWQVSCIRYJA-MRXNPFEDSA-N
• XLogP: 2.22
• TPSA: 146.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?

The IUPAC name of N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264079) is N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

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

The canonical SMILES for N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)c(C)c(-c2ccnc(N)c2)n1.

What is the InChIKey of N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?

The InChIKey is GOGGWQVSCIRYJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N7O3/c1-4-5-6-7-16(11-27(30)12-28)19(29)25-26-20-23-14(3)13(2)18(24-20)15-8-9-22-17(21)10-15/h8-10,12,16,30H,4-7,11H2,1-3H3,(H2,21,22)(H,25,29)(H,23,24,26)/t16-/m1/s1.

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

N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 415.50 g/mol, XLogP of 2.22, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[[[4-(2-amino-4-pyridinyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).