N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide

C19H26N6O3 — CID 90807716

IUPACN-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ccc(Cc2ccccn2)nn1
InChIInChI=1S/C19H26N6O3/c1-2-3-4-7-15(13-25(28)14-26)19(27)24-23-18-10-9-17(21-22-18)12-16-8-5-6-11-20-16/h5-6,8-11,14-15,28H,2-4,7,12-13H2,1H3,(H,22,23)(H,24,27)
InChIKeyMUJLOOSQXCTHRO-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.95
Rot. Bonds12

About N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 90807716) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
PubChem CID90807716
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ccc(Cc2ccccn2)nn1
InChIInChI=1S/C19H26N6O3/c1-2-3-4-7-15(13-25(28)14-26)19(27)24-23-18-10-9-17(21-22-18)12-16-8-5-6-11-20-16/h5-6,8-11,14-15,28H,2-4,7,12-13H2,1H3,(H,22,23)(H,24,27)
InChIKeyMUJLOOSQXCTHRO-UHFFFAOYSA-N
XLogP1.95
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.95
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-[(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-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264099
N-hydroxy-N-[(2R)-2-[[(4-pyridin-4-ylpyrimidin-2-yl)amino]carbamoyl]heptyl]formamide
CID 87264087
N-hydroxy-N-[(2R)-2-[[(5-methoxy-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 87264196
N-hydroxy-N-[2-[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]heptyl]formamide
CID 21078830
N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-[2-[[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264722

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide (CID 90807716) is N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide is CCCCCC(CN(O)C=O)C(=O)NNc1ccc(Cc2ccccn2)nn1.
What is the InChIKey of N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is MUJLOOSQXCTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-2-3-4-7-15(13-25(28)14-26)19(27)24-23-18-10-9-17(21-22-18)12-16-8-5-6-11-20-16/h5-6,8-11,14-15,28H,2-4,7,12-13H2,1H3,(H,22,23)(H,24,27).
What are the key properties of N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 386.46 g/mol, XLogP of 1.95, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[2-[[[6-(pyridin-2-ylmethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 90807716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).