methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate

C18H20N2O4 — CID 78889163

IUPACmethyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1ccc(Oc2ccccc2)nc1)C(C)C
InChIInChI=1S/C18H20N2O4/c1-12(2)16(18(22)23-3)20-17(21)13-9-10-15(19-11-13)24-14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,20,21)
InChIKeyYWGMENOVGHCCGE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.80
Rot. Bonds6

About methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate

methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate (PubChem CID 78889163) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
PubChem CID78889163
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1ccc(Oc2ccccc2)nc1)C(C)C
InChIInChI=1S/C18H20N2O4/c1-12(2)16(18(22)23-3)20-17(21)13-9-10-15(19-11-13)24-14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,20,21)
InChIKeyYWGMENOVGHCCGE-UHFFFAOYSA-N
XLogP2.80
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
3-[[5-[[(2S)-1-methoxy-5,5-dimethyl-1-oxohexan-2-yl]carbamoyl]-2-pyridinyl]oxy]benzoic acid
CID 175985599
N-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55714129

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate (CID 78889163) is methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate is COC(=O)C(NC(=O)c1ccc(Oc2ccccc2)nc1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
The InChIKey is YWGMENOVGHCCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(2)16(18(22)23-3)20-17(21)13-9-10-15(19-11-13)24-14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,20,21).
What are the key properties of methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate has a molecular weight of 328.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(6-phenoxypyridine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 78889163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).