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

C16H25N3O2 — CID 154292566

IUPACtert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC1C(C2=CCNCC2)=CC=C(N)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-11-13(12-7-9-18-10-8-12)5-6-14(17)19(11)15(20)21-16(2,3)4/h5-7,11,18H,8-10,17H2,1-4H3
InChIKeyYDJGIUWXGGOCRU-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.27
Rot. Bonds1

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

tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 154292566) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID154292566
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCC1C(C2=CCNCC2)=CC=C(N)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-11-13(12-7-9-18-10-8-12)5-6-14(17)19(11)15(20)21-16(2,3)4/h5-7,11,18H,8-10,17H2,1-4H3
InChIKeyYDJGIUWXGGOCRU-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 154292566) is tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is CC1C(C2=CCNCC2)=CC=C(N)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is YDJGIUWXGGOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-13(12-7-9-18-10-8-12)5-6-14(17)19(11)15(20)21-16(2,3)4/h5-7,11,18H,8-10,17H2,1-4H3.
What are the key properties of tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 291.40 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 154292566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).