7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C22H31N3O2 — CID 170133759

IUPAC7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCC[C@H](N1CCc2cc(C(=O)NO)cnc2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O2/c1-2-20(22-9-14-5-15(10-22)7-16(6-14)11-22)25-4-3-17-8-18(21(26)24-27)12-23-19(17)13-25/h8,12,14-16,20,27H,2-7,9-11,13H2,1H3,(H,24,26)/t14?,15?,16?,20-,22?/m0/s1
InChIKeyJTCJLEQOVHDKRO-KNBKFLTOSA-N
MW369.51 g/mol
LogP3.55
Rot. Bonds4

About 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 170133759) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID170133759
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCC[C@H](N1CCc2cc(C(=O)NO)cnc2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O2/c1-2-20(22-9-14-5-15(10-22)7-16(6-14)11-22)25-4-3-17-8-18(21(26)24-27)12-23-19(17)13-25/h8,12,14-16,20,27H,2-7,9-11,13H2,1H3,(H,24,26)/t14?,15?,16?,20-,22?/m0/s1
InChIKeyJTCJLEQOVHDKRO-KNBKFLTOSA-N
XLogP3.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.55
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

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CID 156240547
CID 156240547
CID 164623211
CID 164623211
CID 164623542
CID 164623542
CID 135357846
CID 135357846
CID 70784128
CID 70784128
CID 134806445
CID 134806445
CID 134808515
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CID 97931112
CID 97931112

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 170133759) is 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is CC[C@H](N1CCc2cc(C(=O)NO)cnc2C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is JTCJLEQOVHDKRO-KNBKFLTOSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-2-20(22-9-14-5-15(10-22)7-16(6-14)11-22)25-4-3-17-8-18(21(26)24-27)12-23-19(17)13-25/h8,12,14-16,20,27H,2-7,9-11,13H2,1H3,(H,24,26)/t14?,15?,16?,20-,22?/m0/s1.
What are the key properties of 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 170133759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).