N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide

C18H24N6O3 — CID 87264358

IUPACN-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C18H24N6O3/c1-2-3-4-6-15(12-24(27)13-25)17(26)22-23-18-20-10-8-16(21-18)14-7-5-9-19-11-14/h5,7-11,13,15,27H,2-4,6,12H2,1H3,(H,22,26)(H,20,21,23)/t15-/m1/s1
InChIKeyOKDIOKUSKUFVSQ-OAHLLOKOSA-N
MW372.43 g/mol
LogP2.03
Rot. Bonds11

About N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87264358) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87264358
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2cccnc2)n1
InChIInChI=1S/C18H24N6O3/c1-2-3-4-6-15(12-24(27)13-25)17(26)22-23-18-20-10-8-16(21-18)14-7-5-9-19-11-14/h5,7-11,13,15,27H,2-4,6,12H2,1H3,(H,22,26)(H,20,21,23)/t15-/m1/s1
InChIKeyOKDIOKUSKUFVSQ-OAHLLOKOSA-N
XLogP2.03
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.03
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-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide (CID 87264358) is N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is OKDIOKUSKUFVSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-2-3-4-6-15(12-24(27)13-25)17(26)22-23-18-20-10-8-16(21-18)14-7-5-9-19-11-14/h5,7-11,13,15,27H,2-4,6,12H2,1H3,(H,22,26)(H,20,21,23)/t15-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 372.43 g/mol, XLogP of 2.03, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).