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

C18H24N6O3 — CID 87264087

IUPACN-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccncc2)n1
InChIInChI=1S/C18H24N6O3/c1-2-3-4-5-15(12-24(27)13-25)17(26)22-23-18-20-11-8-16(21-18)14-6-9-19-10-7-14/h6-11,13,15,27H,2-5,12H2,1H3,(H,22,26)(H,20,21,23)/t15-/m1/s1
InChIKeyBJBPXVFXCMAFAR-OAHLLOKOSA-N
MW372.43 g/mol
LogP2.03
Rot. Bonds11

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

N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87264087) 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-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87264087
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccncc2)n1
InChIInChI=1S/C18H24N6O3/c1-2-3-4-5-15(12-24(27)13-25)17(26)22-23-18-20-11-8-16(21-18)14-6-9-19-10-7-14/h6-11,13,15,27H,2-5,12H2,1H3,(H,22,26)(H,20,21,23)/t15-/m1/s1
InChIKeyBJBPXVFXCMAFAR-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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Related Compounds

N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-[(2R)-2-[[[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264154
N-hydroxy-N-[2-[[[4-(2,3,4-trimethoxyphenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87264534
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
CID 87264233
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[(2R)-2-[[[4-[[ethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 91460080
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
CID 91523949
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-[5,5-dimethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]hexyl]-N-hydroxyformamide
CID 87264638

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide (CID 87264087) is N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccncc2)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is BJBPXVFXCMAFAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-2-3-4-5-15(12-24(27)13-25)17(26)22-23-18-20-11-8-16(21-18)14-6-9-19-10-7-14/h6-11,13,15,27H,2-5,12H2,1H3,(H,22,26)(H,20,21,23)/t15-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-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-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).