tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

C16H25N3O3 — CID 138674740

IUPACtert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2=CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-10-12(11-5-7-18-8-6-11)13(21-4)9-14(19)17/h5,9,18H,6-8,10,17H2,1-4H3
InChIKeyGOISMXMEELVSEC-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.86
Rot. Bonds2

About tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate

tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 138674740) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID138674740
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2=CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-10-12(11-5-7-18-8-6-11)13(21-4)9-14(19)17/h5,9,18H,6-8,10,17H2,1-4H3
InChIKeyGOISMXMEELVSEC-UHFFFAOYSA-N
XLogP1.86
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(4E,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 89450143
tert-butyl 2-ethoxy-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 89649856
tert-butyl 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 89649857
tert-butyl 5-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 118610511
6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
CID 138674685
tert-butyl 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 138674863
tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 138675035
tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 139415874
tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 154292566
6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid
CID 155071889
tert-butyl 4-[(2Z,4Z)-5-amino-3-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170271284
tert-butyl 4-(6-amino-4-methoxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175050397

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 138674740) is tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is COC1=C(C2=CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1.
What is the InChIKey of tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is GOISMXMEELVSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-10-12(11-5-7-18-8-6-11)13(21-4)9-14(19)17/h5,9,18H,6-8,10,17H2,1-4H3.
What are the key properties of tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 138674740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).