methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate

C30H28N4O7 — CID 143828089

IUPACmethyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)OC)cn2)cc(Oc2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C30H28N4O7/c1-19(18-38-2)40-26-15-22(29(36)33-25-14-9-21(17-31-25)30(37)39-3)16-27(34-26)41-24-12-10-23(11-13-24)32-28(35)20-7-5-4-6-8-20/h4-17,19H,18H2,1-3H3,(H,32,35)(H,31,33,36)/t19-/m1/s1
InChIKeyWVDRREKHHUHNCU-LJQANCHMSA-N
MW556.58 g/mol
LogP4.97
Rot. Bonds11

About methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate

methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate (PubChem CID 143828089) has the molecular formula C30H28N4O7 and a molecular weight of 556.58 g/mol. Its IUPAC name is methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
PubChem CID143828089
Molecular FormulaC30H28N4O7
Molecular Weight556.58 g/mol
Exact Mass556.20
IUPAC Namemethyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)OC)cn2)cc(Oc2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C30H28N4O7/c1-19(18-38-2)40-26-15-22(29(36)33-25-14-9-21(17-31-25)30(37)39-3)16-27(34-26)41-24-12-10-23(11-13-24)32-28(35)20-7-5-4-6-8-20/h4-17,19H,18H2,1-3H3,(H,32,35)(H,31,33,36)/t19-/m1/s1
InChIKeyWVDRREKHHUHNCU-LJQANCHMSA-N
XLogP4.97
TPSA137.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.58
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489750
methyl 2-[6-[[2-(4-methoxyphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]-3-pyridinyl]acetate
CID 67765342
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
6-[[2-(4-methoxyphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489827
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
2-(1-methoxypropan-2-yloxy)-6-(4-methylsulfinylphenoxy)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 143853410
6-[[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67765328
2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
CID 67489794
6-[[2-(4-cyclopropylsulfonylphenoxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67765314
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 59263320

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate (CID 143828089) is methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate is COC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)OC)cn2)cc(Oc2ccc(NC(=O)c3ccccc3)cc2)n1.
What is the InChIKey of methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate?
The InChIKey is WVDRREKHHUHNCU-LJQANCHMSA-N. The full InChI is InChI=1S/C30H28N4O7/c1-19(18-38-2)40-26-15-22(29(36)33-25-14-9-21(17-31-25)30(37)39-3)16-27(34-26)41-24-12-10-23(11-13-24)32-28(35)20-7-5-4-6-8-20/h4-17,19H,18H2,1-3H3,(H,32,35)(H,31,33,36)/t19-/m1/s1.
What are the key properties of methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate?
methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate has a molecular weight of 556.58 g/mol, XLogP of 4.97, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 143828089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).