6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide

C18H25N3O2 — CID 135357846

IUPAC6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide
SMILESO=C(NO)c1ccc(CNCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C18H25N3O2/c22-17(21-23)15-1-2-16(20-9-15)10-19-11-18-6-12-3-13(7-18)5-14(4-12)8-18/h1-2,9,12-14,19,23H,3-8,10-11H2,(H,21,22)
InChIKeyVYRNRNFYRLJGEC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.51
Rot. Bonds5

About 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide

6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide (PubChem CID 135357846) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide
PubChem CID135357846
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide
SMILESO=C(NO)c1ccc(CNCC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C18H25N3O2/c22-17(21-23)15-1-2-16(20-9-15)10-19-11-18-6-12-3-13(7-18)5-14(4-12)8-18/h1-2,9,12-14,19,23H,3-8,10-11H2,(H,21,22)
InChIKeyVYRNRNFYRLJGEC-UHFFFAOYSA-N
XLogP2.51
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide?
The IUPAC name of 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide (CID 135357846) is 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide?
The canonical SMILES for 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide is O=C(NO)c1ccc(CNCC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide?
The InChIKey is VYRNRNFYRLJGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(21-23)15-1-2-16(20-9-15)10-19-11-18-6-12-3-13(7-18)5-14(4-12)8-18/h1-2,9,12-14,19,23H,3-8,10-11H2,(H,21,22).
What are the key properties of 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide?
6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-adamantylmethylamino)methyl]-N-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 135357846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).