6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide

C20H29N3O2 — CID 164615488

IUPAC6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESCN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C20H29N3O2/c1-18-6-14-7-19(2,11-18)13-20(8-14,12-18)23(3)10-16-5-4-15(9-21-16)17(24)22-25/h4-5,9,14,25H,6-8,10-13H2,1-3H3,(H,22,24)/t14?,18-,19+,20?
InChIKeyLPAJIUVDHMMEBG-ODNNXGBQSA-N
MW343.47 g/mol
LogP3.38
Rot. Bonds4

About 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide

6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide (PubChem CID 164615488) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
PubChem CID164615488
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESCN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C20H29N3O2/c1-18-6-14-7-19(2,11-18)13-20(8-14,12-18)23(3)10-16-5-4-15(9-21-16)17(24)22-25/h4-5,9,14,25H,6-8,10-13H2,1-3H3,(H,22,24)/t14?,18-,19+,20?
InChIKeyLPAJIUVDHMMEBG-ODNNXGBQSA-N
XLogP3.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 64196
CID 64196
CID 135512348
CID 135512348
CID 24708510
CID 24708510
CID 24757063
CID 24757063
CID 49820779
CID 49820779
CID 2971348
CID 2971348
CID 16189421
CID 16189421
CID 44436058
CID 44436058
CID 44436060
CID 44436060
CID 164612131
CID 164612131
CID 164615666
CID 164615666
CID 166627613
CID 166627613

Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide (CID 164615488) is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide is CN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2.
What is the InChIKey of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is LPAJIUVDHMMEBG-ODNNXGBQSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-18-6-14-7-19(2,11-18)13-20(8-14,12-18)23(3)10-16-5-4-15(9-21-16)17(24)22-25/h4-5,9,14,25H,6-8,10-13H2,1-3H3,(H,22,24)/t14?,18-,19+,20?.
What are the key properties of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide?
6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 164615488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).