6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C16H23N3O3 — CID 160731359

IUPAC6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@@H](C(=O)N1CCc2ncc(C(=O)NO)cc2C1)C(C)C
InChIInChI=1S/C16H23N3O3/c1-4-13(10(2)3)16(21)19-6-5-14-12(9-19)7-11(8-17-14)15(20)18-22/h7-8,10,13,22H,4-6,9H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyZKBHVBMQBPRTPP-CYBMUJFWSA-N
MW305.38 g/mol
LogP1.77
Rot. Bonds4

About 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 160731359) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID160731359
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@@H](C(=O)N1CCc2ncc(C(=O)NO)cc2C1)C(C)C
InChIInChI=1S/C16H23N3O3/c1-4-13(10(2)3)16(21)19-6-5-14-12(9-19)7-11(8-17-14)15(20)18-22/h7-8,10,13,22H,4-6,9H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyZKBHVBMQBPRTPP-CYBMUJFWSA-N
XLogP1.77
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.77
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-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 160731359) is 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC[C@@H](C(=O)N1CCc2ncc(C(=O)NO)cc2C1)C(C)C.
What is the InChIKey of 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is ZKBHVBMQBPRTPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-13(10(2)3)16(21)19-6-5-14-12(9-19)7-11(8-17-14)15(20)18-22/h7-8,10,13,22H,4-6,9H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 160731359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).