tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate

C17H25N3O3 — CID 66967056

IUPACtert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)C=Cc1cnc(N)c(CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-15(21)5-4-13-10-14(16(18)19-11-13)12-20-6-8-22-9-7-20/h4-5,10-11H,6-9,12H2,1-3H3,(H2,18,19)
InChIKeyJLPYALPAKZSWJG-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.85
Rot. Bonds4

About tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate

tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate (PubChem CID 66967056) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate
PubChem CID66967056
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate
SMILESCC(C)(C)OC(=O)C=Cc1cnc(N)c(CN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-15(21)5-4-13-10-14(16(18)19-11-13)12-20-6-8-22-9-7-20/h4-5,10-11H,6-9,12H2,1-3H3,(H2,18,19)
InChIKeyJLPYALPAKZSWJG-UHFFFAOYSA-N
XLogP1.85
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(Morpholin-4-ylmethyl)pyridin-2-amine
CID 57867515
(2E)-3-(6-amino-5-methylpyridin-3-yl)prop-2-enoic acid
CID 22593736
(E)-Ethyl 3-(2-amino-5-bromopyridin-3-YL)acrylate
CID 28054474
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxopyridine-4-carboxamide
CID 53500573
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]hexa-2,4-dienamide
CID 72057902
Ethyl 2-(2-amino-3-methylpyridin-1-ium-1-yl)acetate
CID 54271373
Ethyl 2-(2-amino-5-methylpyridin-1-ium-1-yl)acetate
CID 59682242
2-Amino-1-(ethoxycarbonylmethyl)-3-methylpyridinium bromide
CID 86745771
tert-butyl (2R)-4-[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 11697648
(E)-Methyl 3-(2-amino-5-fluoropyridin-3-YL)-acrylate
CID 49761566
tert-butyl 4-[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67399818
4-[5-(2-Methoxycarbonyl-vinyl)-3-trifluoromethyl-pyridin-2-yl]-piperazine-1-carboxylic acid tert-butyl ester
CID 67399819

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate?
The IUPAC name of tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate (CID 66967056) is tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate?
The canonical SMILES for tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate is CC(C)(C)OC(=O)C=Cc1cnc(N)c(CN2CCOCC2)c1.
What is the InChIKey of tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate?
The InChIKey is JLPYALPAKZSWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-15(21)5-4-13-10-14(16(18)19-11-13)12-20-6-8-22-9-7-20/h4-5,10-11H,6-9,12H2,1-3H3,(H2,18,19).
What are the key properties of tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate?
tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate has a molecular weight of 319.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-amino-5-(morpholin-4-ylmethyl)-3-pyridinyl]prop-2-enoate is sourced from PubChem (CID 66967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).