(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide

C19H28N4O4 — CID 86770821

IUPAC(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)CN(C)C(=O)C1
InChIInChI=1S/C19H28N4O4/c1-23-13-16(22-19(26)15-6-4-8-20-12-15)7-3-5-14(11-17(23)24)18(25)21-9-10-27-2/h4,6,8,12,14,16H,3,5,7,9-11,13H2,1-2H3,(H,21,25)(H,22,26)/t14-,16-/m1/s1
InChIKeyHPBMAESUNBLLJX-GDBMZVCRSA-N
MW376.46 g/mol
LogP0.59
Rot. Bonds6

About (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide

(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide (PubChem CID 86770821) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
PubChem CID86770821
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)CN(C)C(=O)C1
InChIInChI=1S/C19H28N4O4/c1-23-13-16(22-19(26)15-6-4-8-20-12-15)7-3-5-14(11-17(23)24)18(25)21-9-10-27-2/h4,6,8,12,14,16H,3,5,7,9-11,13H2,1-2H3,(H,21,25)(H,22,26)/t14-,16-/m1/s1
InChIKeyHPBMAESUNBLLJX-GDBMZVCRSA-N
XLogP0.59
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide
CID 162798634
8-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798594
8-[(4-cyanobenzoyl)amino]-N-(2-methoxyethyl)-1-methyl-2-oxoazonane-4-carboxamide
CID 162798595
N-(2-methoxyethyl)-1-methyl-2-oxo-8-(phenylcarbamoylamino)azonane-4-carboxamide
CID 163057923
(4R,8R)-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-8-(pyrimidine-5-carbonylamino)azonane-4-carboxamide
CID 86770824
(4R,8R)-8-benzamido-N-[(3,5-difluorophenyl)methyl]-1-methyl-2-oxoazonane-4-carboxamide
CID 75411749
N-[(3R,7R)-1-methyl-7-(4-methylpiperazine-1-carbonyl)-9-oxoazonan-3-yl]benzamide
CID 100618985
N-[(3R,7R)-7-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-9-oxoazonan-3-yl]-1,2-oxazole-5-carboxamide
CID 75411707
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide?
The IUPAC name of (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide (CID 86770821) is (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide is COCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide?
The InChIKey is HPBMAESUNBLLJX-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-23-13-16(22-19(26)15-6-4-8-20-12-15)7-3-5-14(11-17(23)24)18(25)21-9-10-27-2/h4,6,8,12,14,16H,3,5,7,9-11,13H2,1-2H3,(H,21,25)(H,22,26)/t14-,16-/m1/s1.
What are the key properties of (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide?
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-(pyridine-3-carbonylamino)azonane-4-carboxamide is sourced from PubChem (CID 86770821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).