N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide

C15H21N5O3 — CID 87264099

IUPACN-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ccc(C#N)cn1
InChIInChI=1S/C15H21N5O3/c1-2-3-4-5-13(10-20(23)11-21)15(22)19-18-14-7-6-12(8-16)9-17-14/h6-7,9,11,13,23H,2-5,10H2,1H3,(H,17,18)(H,19,22)
InChIKeyCJYNFYOYRCVVRB-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.44
Rot. Bonds10

About N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264099) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264099
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC NameN-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ccc(C#N)cn1
InChIInChI=1S/C15H21N5O3/c1-2-3-4-5-13(10-20(23)11-21)15(22)19-18-14-7-6-12(8-16)9-17-14/h6-7,9,11,13,23H,2-5,10H2,1H3,(H,17,18)(H,19,22)
InChIKeyCJYNFYOYRCVVRB-UHFFFAOYSA-N
XLogP1.44
TPSA118.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264343
N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 90807716
N-hydroxy-N-[2-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87263957
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-(5-cyano-2-pyridinyl)-2-ethylhexanamide
CID 55063088
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-hydroxy-N-[2-[[(2-morpholin-2-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264068
N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide
CID 23327109

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264099) is N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1ccc(C#N)cn1.
What is the InChIKey of N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is CJYNFYOYRCVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-2-3-4-5-13(10-20(23)11-21)15(22)19-18-14-7-6-12(8-16)9-17-14/h6-7,9,11,13,23H,2-5,10H2,1H3,(H,17,18)(H,19,22).
What are the key properties of N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 319.37 g/mol, XLogP of 1.44, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).