1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C18H25N3O3 — CID 100907336

IUPAC1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-5-11(3)15(10-22)20-18(24)14-9-21(6-2)17-13(16(14)23)8-7-12(4)19-17/h7-9,11,15,22H,5-6,10H2,1-4H3,(H,20,24)/t11-,15+/m0/s1
InChIKeyDZTQDZUAFRYEPQ-XHDPSFHLSA-N
MW331.42 g/mol
LogP1.86
Rot. Bonds6

About 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 100907336) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID100907336
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-5-11(3)15(10-22)20-18(24)14-9-21(6-2)17-13(16(14)23)8-7-12(4)19-17/h7-9,11,15,22H,5-6,10H2,1-4H3,(H,20,24)/t11-,15+/m0/s1
InChIKeyDZTQDZUAFRYEPQ-XHDPSFHLSA-N
XLogP1.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 100907336) is 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CC[C@H](C)[C@@H](CO)NC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is DZTQDZUAFRYEPQ-XHDPSFHLSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-5-11(3)15(10-22)20-18(24)14-9-21(6-2)17-13(16(14)23)8-7-12(4)19-17/h7-9,11,15,22H,5-6,10H2,1-4H3,(H,20,24)/t11-,15+/m0/s1.
What are the key properties of 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 100907336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).