tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate

C14H20N2O3 — CID 2762943

IUPACtert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)11-4-5-15-12(10-11)16-6-8-18-9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyKTZSLYFETZWANR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate

tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 2762943) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
PubChem CID2762943
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)11-4-5-15-12(10-11)16-6-8-18-9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyKTZSLYFETZWANR-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-amino-4-morpholin-4-ylbenzoate
CID 118548695
tert-butyl 5-acetyl-2-morpholin-4-ylpyridine-4-carboxylate
CID 177253416
tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659
tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate
CID 166683570
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid
CID 77398435
tert-butyl 6-morpholin-4-yl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 132821970
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
CID 142726722

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate (CID 2762943) is tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is KTZSLYFETZWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)11-4-5-15-12(10-11)16-6-8-18-9-7-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate?
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 2762943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).