tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C18H27N3O3 — CID 175051576

IUPACtert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2=C(OC3CC3)C=C(N)NC2)CC1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)24-17(22)21-8-6-12(7-9-21)14-11-20-16(19)10-15(14)23-13-4-5-13/h6,10,13,20H,4-5,7-9,11,19H2,1-3H3
InChIKeyJFCOBPHEHCSRRP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 175051576) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID175051576
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C2=C(OC3CC3)C=C(N)NC2)CC1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)24-17(22)21-8-6-12(7-9-21)14-11-20-16(19)10-15(14)23-13-4-5-13/h6,10,13,20H,4-5,7-9,11,19H2,1-3H3
InChIKeyJFCOBPHEHCSRRP-UHFFFAOYSA-N
XLogP2.39
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 6-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 89649857
6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
CID 138674685
tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 138674740
tert-butyl 4-(6-amino-4-methoxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175050397
tert-butyl 4-[4-ethoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175054693
tert-butyl 4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propoxy-1,2-dihydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175056864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 175051576) is tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(C2=C(OC3CC3)C=C(N)NC2)CC1.
What is the InChIKey of tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JFCOBPHEHCSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)24-17(22)21-8-6-12(7-9-21)14-11-20-16(19)10-15(14)23-13-4-5-13/h6,10,13,20H,4-5,7-9,11,19H2,1-3H3.
What are the key properties of tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 175051576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).