N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide

C19H23F3N6O3 — CID 87264233

IUPACN-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(C(F)(F)F)ncc1-c1ccncc1
InChIInChI=1S/C19H23F3N6O3/c1-2-3-4-5-14(11-28(31)12-29)17(30)27-26-16-15(13-6-8-23-9-7-13)10-24-18(25-16)19(20,21)22/h6-10,12,14,31H,2-5,11H2,1H3,(H,27,30)(H,24,25,26)
InChIKeyRHGYSOJQAVCJFO-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.04
Rot. Bonds11

About N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 87264233) has the molecular formula C19H23F3N6O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
PubChem CID87264233
Molecular FormulaC19H23F3N6O3
Molecular Weight440.43 g/mol
Exact Mass440.18
IUPAC NameN-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(C(F)(F)F)ncc1-c1ccncc1
InChIInChI=1S/C19H23F3N6O3/c1-2-3-4-5-14(11-28(31)12-29)17(30)27-26-16-15(13-6-8-23-9-7-13)10-24-18(25-16)19(20,21)22/h6-10,12,14,31H,2-5,11H2,1H3,(H,27,30)(H,24,25,26)
InChIKeyRHGYSOJQAVCJFO-UHFFFAOYSA-N
XLogP3.04
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.04
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-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-hydroxy-N-[2-[[[5-(4-pyrimidin-2-ylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 87263925
N-hydroxy-N-[(2S)-2-[[[5-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 135746588
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264099
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-[2-[[[2-(dimethylamino)quinazolin-4-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87263921
N-hydroxy-N-[(2S)-2-[[[5-(piperidine-1-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 135598581

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide (CID 87264233) is N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide is CCCCCC(CN(O)C=O)C(=O)NNc1nc(C(F)(F)F)ncc1-c1ccncc1.
What is the InChIKey of N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is RHGYSOJQAVCJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O3/c1-2-3-4-5-14(11-28(31)12-29)17(30)27-26-16-15(13-6-8-23-9-7-13)10-24-18(25-16)19(20,21)22/h6-10,12,14,31H,2-5,11H2,1H3,(H,27,30)(H,24,25,26).
What are the key properties of N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[2-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 440.43 g/mol, XLogP of 3.04, 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-[[[5-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87264233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).