N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide

C17H28N6O3 — CID 87264343

IUPACN-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H28N6O3/c1-2-3-4-7-14(11-23(26)13-24)17(25)21-20-15-10-16(19-12-18-15)22-8-5-6-9-22/h10,12-14,26H,2-9,11H2,1H3,(H,21,25)(H,18,19,20)
InChIKeyINCBNHXZMLXWEI-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.56
Rot. Bonds11

About N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87264343) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87264343
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H28N6O3/c1-2-3-4-7-14(11-23(26)13-24)17(25)21-20-15-10-16(19-12-18-15)22-8-5-6-9-22/h10,12-14,26H,2-9,11H2,1H3,(H,21,25)(H,18,19,20)
InChIKeyINCBNHXZMLXWEI-UHFFFAOYSA-N
XLogP1.56
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide (CID 87264343) is N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide is CCCCCC(CN(O)C=O)C(=O)NNc1cc(N2CCCC2)ncn1.
What is the InChIKey of N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is INCBNHXZMLXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-2-3-4-7-14(11-23(26)13-24)17(25)21-20-15-10-16(19-12-18-15)22-8-5-6-9-22/h10,12-14,26H,2-9,11H2,1H3,(H,21,25)(H,18,19,20).
What are the key properties of N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 364.45 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).