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

C16H26N4O4 — CID 87264131

IUPACN-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1cccc(OCC)n1
InChIInChI=1S/C16H26N4O4/c1-3-5-6-8-13(11-20(23)12-21)16(22)19-18-14-9-7-10-15(17-14)24-4-2/h7,9-10,12-13,23H,3-6,8,11H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyNLAZNKSZDVJKQH-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.97
Rot. Bonds12

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

N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264131) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264131
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1cccc(OCC)n1
InChIInChI=1S/C16H26N4O4/c1-3-5-6-8-13(11-20(23)12-21)16(22)19-18-14-9-7-10-15(17-14)24-4-2/h7,9-10,12-13,23H,3-6,8,11H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyNLAZNKSZDVJKQH-UHFFFAOYSA-N
XLogP1.97
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.97
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-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-hydroxy-N-[(2R)-2-[[(6-pyrrol-1-ylpyridazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 10316477
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264099
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 90807716
N-hydroxy-N-[2-[[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
CID 87264343
N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 87264196
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-[(2R)-2-[[[4-[[ethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 91460080
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87264131) is N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1cccc(OCC)n1.
What is the InChIKey of N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is NLAZNKSZDVJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-3-5-6-8-13(11-20(23)12-21)16(22)19-18-14-9-7-10-15(17-14)24-4-2/h7,9-10,12-13,23H,3-6,8,11H2,1-2H3,(H,17,18)(H,19,22).
What are the key properties of N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 338.41 g/mol, XLogP of 1.97, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).