methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate

C19H29N3O4 — CID 59732481

IUPACmethyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(NC(=O)OC(C)C)cnc1NCC1CCCCC1
InChIInChI=1S/C19H29N3O4/c1-13(2)26-19(24)22-16-9-15(10-17(23)25-3)18(21-12-16)20-11-14-7-5-4-6-8-14/h9,12-14H,4-8,10-11H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyIGQCZIJYEJWKAN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.75
Rot. Bonds7

About methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate

methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate (PubChem CID 59732481) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate
PubChem CID59732481
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namemethyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(NC(=O)OC(C)C)cnc1NCC1CCCCC1
InChIInChI=1S/C19H29N3O4/c1-13(2)26-19(24)22-16-9-15(10-17(23)25-3)18(21-12-16)20-11-14-7-5-4-6-8-14/h9,12-14H,4-8,10-11H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyIGQCZIJYEJWKAN-UHFFFAOYSA-N
XLogP3.75
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate (CID 59732481) is methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate is COC(=O)Cc1cc(NC(=O)OC(C)C)cnc1NCC1CCCCC1.
What is the InChIKey of methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate?
The InChIKey is IGQCZIJYEJWKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)26-19(24)22-16-9-15(10-17(23)25-3)18(21-12-16)20-11-14-7-5-4-6-8-14/h9,12-14H,4-8,10-11H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate?
methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate has a molecular weight of 363.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclohexylmethylamino)-5-(propan-2-yloxycarbonylamino)-3-pyridinyl]acetate is sourced from PubChem (CID 59732481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).