N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide

C18H28N6O3 — CID 23327109

IUPACN-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1cc(C)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H28N6O3/c1-5-6-7-8-14(10-24(27)11-25)18(26)21-20-15-9-12(2)16-13(3)22-23(4)17(16)19-15/h9,11,14,27H,5-8,10H2,1-4H3,(H,19,20)(H,21,26)/t14-/m0/s1
InChIKeyPBQNOASZJZQAHT-AWEZNQCLSA-N
MW376.46 g/mol
LogP2.07
Rot. Bonds10

About N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 23327109) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide
PubChem CID23327109
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC NameN-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1cc(C)c2c(C)nn(C)c2n1
InChIInChI=1S/C18H28N6O3/c1-5-6-7-8-14(10-24(27)11-25)18(26)21-20-15-9-12(2)16-13(3)22-23(4)17(16)19-15/h9,11,14,27H,5-8,10H2,1-4H3,(H,19,20)(H,21,26)/t14-/m0/s1
InChIKeyPBQNOASZJZQAHT-AWEZNQCLSA-N
XLogP2.07
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.07
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'}

Analyze N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide (CID 23327109) is N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide is CCCCC[C@@H](CN(O)C=O)C(=O)NNc1cc(C)c2c(C)nn(C)c2n1.
What is the InChIKey of N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is PBQNOASZJZQAHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-5-6-7-8-14(10-24(27)11-25)18(26)21-20-15-9-12(2)16-13(3)22-23(4)17(16)19-15/h9,11,14,27H,5-8,10H2,1-4H3,(H,19,20)(H,21,26)/t14-/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 376.46 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-2-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 23327109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).