N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide

C14H21FN4O3 — CID 87264014

IUPACN-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1cccc(F)n1
InChIInChI=1S/C14H21FN4O3/c1-2-3-4-6-11(9-19(22)10-20)14(21)18-17-13-8-5-7-12(15)16-13/h5,7-8,10-11,22H,2-4,6,9H2,1H3,(H,16,17)(H,18,21)/t11-/m0/s1
InChIKeyTZSXUUIYXPZTIN-NSHDSACASA-N
MW312.35 g/mol
LogP1.71
Rot. Bonds10

About N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264014) has the molecular formula C14H21FN4O3 and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264014
Molecular FormulaC14H21FN4O3
Molecular Weight312.35 g/mol
Exact Mass312.16
IUPAC NameN-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1cccc(F)n1
InChIInChI=1S/C14H21FN4O3/c1-2-3-4-6-11(9-19(22)10-20)14(21)18-17-13-8-5-7-12(15)16-13/h5,7-8,10-11,22H,2-4,6,9H2,1H3,(H,16,17)(H,18,21)/t11-/m0/s1
InChIKeyTZSXUUIYXPZTIN-NSHDSACASA-N
XLogP1.71
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264014) is N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@@H](CN(O)C=O)C(=O)NNc1cccc(F)n1.
What is the InChIKey of N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is TZSXUUIYXPZTIN-NSHDSACASA-N. The full InChI is InChI=1S/C14H21FN4O3/c1-2-3-4-6-11(9-19(22)10-20)14(21)18-17-13-8-5-7-12(15)16-13/h5,7-8,10-11,22H,2-4,6,9H2,1H3,(H,16,17)(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 312.35 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).