5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide

C20H27N3O4 — CID 90416731

IUPAC5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NO)cc1[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O4/c1-11(16-6-15(17(24)23-26)10-21-18(16)27-2)22-19(25)20-7-12-3-13(8-20)5-14(4-12)9-20/h6,10-14,26H,3-5,7-9H2,1-2H3,(H,22,25)(H,23,24)/t11-,12?,13?,14?,20?/m0/s1
InChIKeyUQPNUJMRWNXVMS-ABROSTTOSA-N
MW373.45 g/mol
LogP2.60
Rot. Bonds5

About 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide

5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide (PubChem CID 90416731) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide
PubChem CID90416731
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NO)cc1[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O4/c1-11(16-6-15(17(24)23-26)10-21-18(16)27-2)22-19(25)20-7-12-3-13(8-20)5-14(4-12)9-20/h6,10-14,26H,3-5,7-9H2,1-2H3,(H,22,25)(H,23,24)/t11-,12?,13?,14?,20?/m0/s1
InChIKeyUQPNUJMRWNXVMS-ABROSTTOSA-N
XLogP2.60
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide (CID 90416731) is 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide is COc1ncc(C(=O)NO)cc1[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide?
The InChIKey is UQPNUJMRWNXVMS-ABROSTTOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-11(16-6-15(17(24)23-26)10-21-18(16)27-2)22-19(25)20-7-12-3-13(8-20)5-14(4-12)9-20/h6,10-14,26H,3-5,7-9H2,1-2H3,(H,22,25)(H,23,24)/t11-,12?,13?,14?,20?/m0/s1.
What are the key properties of 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide?
5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(adamantane-1-carbonylamino)ethyl]-N-hydroxy-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 90416731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).