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

C19H27N3O2 — CID 164615666

IUPAC6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESC[C@]12CC3CC(NCc4ccc(C(=O)NO)cn4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H27N3O2/c1-17-5-13-6-18(2,10-17)12-19(7-13,11-17)21-9-15-4-3-14(8-20-15)16(23)22-24/h3-4,8,13,21,24H,5-7,9-12H2,1-2H3,(H,22,23)/t13?,17-,18+,19?
InChIKeyMZOJQVXYXQOZQF-DFDFAMMDSA-N
MW329.44 g/mol
LogP3.04
Rot. Bonds4

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

6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide (PubChem CID 164615666) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
PubChem CID164615666
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESC[C@]12CC3CC(NCc4ccc(C(=O)NO)cn4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H27N3O2/c1-17-5-13-6-18(2,10-17)12-19(7-13,11-17)21-9-15-4-3-14(8-20-15)16(23)22-24/h3-4,8,13,21,24H,5-7,9-12H2,1-2H3,(H,22,23)/t13?,17-,18+,19?
InChIKeyMZOJQVXYXQOZQF-DFDFAMMDSA-N
XLogP3.04
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
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'}

Analyze 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide 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 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide (CID 164615666) is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide is C[C@]12CC3CC(NCc4ccc(C(=O)NO)cn4)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is MZOJQVXYXQOZQF-DFDFAMMDSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-17-5-13-6-18(2,10-17)12-19(7-13,11-17)21-9-15-4-3-14(8-20-15)16(23)22-24/h3-4,8,13,21,24H,5-7,9-12H2,1-2H3,(H,22,23)/t13?,17-,18+,19?.
What are the key properties of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide?
6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]amino]methyl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 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]amino]methyl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 164615666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).