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

C17H27N3O2 — CID 126485258

IUPACtert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCCC1=C(N)CN(C(=O)OC(C)(C)C)C(C2=CCNCC2)=C1
InChIInChI=1S/C17H27N3O2/c1-5-12-10-15(13-6-8-19-9-7-13)20(11-14(12)18)16(21)22-17(2,3)4/h6,10,19H,5,7-9,11,18H2,1-4H3
InChIKeyVBPITIHPMXZZOD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.66
Rot. Bonds2

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

tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (PubChem CID 126485258) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
PubChem CID126485258
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
SMILESCCC1=C(N)CN(C(=O)OC(C)(C)C)C(C2=CCNCC2)=C1
InChIInChI=1S/C17H27N3O2/c1-5-12-10-15(13-6-8-19-9-7-13)20(11-14(12)18)16(21)22-17(2,3)4/h6,10,19H,5,7-9,11,18H2,1-4H3
InChIKeyVBPITIHPMXZZOD-UHFFFAOYSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 139415874
tert-butyl 4-[2-fluoro-4-[[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzoyl]amino]phenyl]piperazine-1-carboxylate
CID 167190429
1-O-tert-butyl 4-O-ethyl 5-amino-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 54757010
[1-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-ethoxy-2-oxoethylidene]azanium
CID 155732023
tert-butyl 6-nitro-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole-1-carboxylate
CID 165381988
tert-butyl 4-(4-amino-2-ethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118628442
tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275068
bis(4-(1,2,3,6-tetrahydropyridin-4-yl)aniline);2,2,2-trifluoroacetic acid
CID 175843365
tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275063
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
1-O-tert-butyl 5-O-ethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 11379830

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate (CID 126485258) is tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is CCC1=C(N)CN(C(=O)OC(C)(C)C)C(C2=CCNCC2)=C1.
What is the InChIKey of tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
The InChIKey is VBPITIHPMXZZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-12-10-15(13-6-8-19-9-7-13)20(11-14(12)18)16(21)22-17(2,3)4/h6,10,19H,5,7-9,11,18H2,1-4H3.
What are the key properties of tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate?
tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 126485258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).