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

C16H24N4O2 — CID 155191904

IUPACtert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(N)nnc1C1=CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C16H24N4O2/c1-10-8-13(17)18-19-14(10)12-6-7-20(9-11(12)2)15(21)22-16(3,4)5/h6,8,11H,7,9H2,1-5H3,(H2,17,18)
InChIKeyNDZLYWQKNAGQPB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.64
Rot. Bonds1

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

tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 155191904) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID155191904
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nametert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(N)nnc1C1=CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C16H24N4O2/c1-10-8-13(17)18-19-14(10)12-6-7-20(9-11(12)2)15(21)22-16(3,4)5/h6,8,11H,7,9H2,1-5H3,(H2,17,18)
InChIKeyNDZLYWQKNAGQPB-UHFFFAOYSA-N
XLogP2.64
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

tert-butyl 3,4-dimethyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123597908
[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
CID 167461421
tert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715592
tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 56960123
1-O-tert-butyl 4-O-ethyl 5-amino-6-methyl-2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CID 59022540
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (2S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (6S)-4-(6-amino-4-methylpyridazin-3-yl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (2S)-2-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl (6S)-6-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 165105767
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
CID 159387786
CID 159387786
tert-butyl (3R)-3-(2,2-dimethylpropanoyloxymethyl)-4-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 101090661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 155191904) is tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cc(N)nnc1C1=CCN(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NDZLYWQKNAGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10-8-13(17)18-19-14(10)12-6-7-20(9-11(12)2)15(21)22-16(3,4)5/h6,8,11H,7,9H2,1-5H3,(H2,17,18).
What are the key properties of tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-4-methylpyridazin-3-yl)-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 155191904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).