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

C22H33N3O2 — CID 164612131

IUPAC6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESCCCN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C22H33N3O2/c1-4-7-25(12-18-6-5-17(11-23-18)19(26)24-27)22-10-16-8-20(2,14-22)13-21(3,9-16)15-22/h5-6,11,16,27H,4,7-10,12-15H2,1-3H3,(H,24,26)/t16?,20-,21+,22?
InChIKeyQTOMNVPNGBVDPG-NJMHRBNOSA-N
MW371.53 g/mol
LogP4.16
Rot. Bonds6

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

6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide (PubChem CID 164612131) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide
PubChem CID164612131
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide
SMILESCCCN(Cc1ccc(C(=O)NO)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C22H33N3O2/c1-4-7-25(12-18-6-5-17(11-23-18)19(26)24-27)22-10-16-8-20(2,14-22)13-21(3,9-16)15-22/h5-6,11,16,27H,4,7-10,12-15H2,1-3H3,(H,24,26)/t16?,20-,21+,22?
InChIKeyQTOMNVPNGBVDPG-NJMHRBNOSA-N
XLogP4.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide (CID 164612131) is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide is CCCN(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]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is QTOMNVPNGBVDPG-NJMHRBNOSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-7-25(12-18-6-5-17(11-23-18)19(26)24-27)22-10-16-8-20(2,14-22)13-21(3,9-16)15-22/h5-6,11,16,27H,4,7-10,12-15H2,1-3H3,(H,24,26)/t16?,20-,21+,22?.
What are the key properties of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide?
6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 4.16, 6 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]-propylamino]methyl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 164612131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).