methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate

C24H33N3O5 — CID 66555914

IUPACmethyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate
SMILESCOC(=O)C12CC3CC(C1)C(NC(=O)C1CN(Cc4cccc(OC)n4)CCO1)C(C3)C2
InChIInChI=1S/C24H33N3O5/c1-30-20-5-3-4-18(25-20)13-27-6-7-32-19(14-27)22(28)26-21-16-8-15-9-17(21)12-24(10-15,11-16)23(29)31-2/h3-5,15-17,19,21H,6-14H2,1-2H3,(H,26,28)
InChIKeyOQWOJLUUCSDAJV-UHFFFAOYSA-N
MW443.54 g/mol
LogP1.78
Rot. Bonds6

About methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate

methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate (PubChem CID 66555914) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate
PubChem CID66555914
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Namemethyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate
SMILESCOC(=O)C12CC3CC(C1)C(NC(=O)C1CN(Cc4cccc(OC)n4)CCO1)C(C3)C2
InChIInChI=1S/C24H33N3O5/c1-30-20-5-3-4-18(25-20)13-27-6-7-32-19(14-27)22(28)26-21-16-8-15-9-17(21)12-24(10-15,11-16)23(29)31-2/h3-5,15-17,19,21H,6-14H2,1-2H3,(H,26,28)
InChIKeyOQWOJLUUCSDAJV-UHFFFAOYSA-N
XLogP1.78
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate?
The IUPAC name of methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate (CID 66555914) is methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate?
The canonical SMILES for methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate is COC(=O)C12CC3CC(C1)C(NC(=O)C1CN(Cc4cccc(OC)n4)CCO1)C(C3)C2.
What is the InChIKey of methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate?
The InChIKey is OQWOJLUUCSDAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-30-20-5-3-4-18(25-20)13-27-6-7-32-19(14-27)22(28)26-21-16-8-15-9-17(21)12-24(10-15,11-16)23(29)31-2/h3-5,15-17,19,21H,6-14H2,1-2H3,(H,26,28).
What are the key properties of methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate?
methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate has a molecular weight of 443.54 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carbonyl]amino]adamantane-1-carboxylate is sourced from PubChem (CID 66555914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).