methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate

C16H21N3O5 — CID 177042378

IUPACmethyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C16H21N3O5/c1-16(2,3)24-15(22)18-11-8-19(9-11)13(20)12-6-5-10(7-17-12)14(21)23-4/h5-7,11H,8-9H2,1-4H3,(H,18,22)
InChIKeyWBFLHDXBMCUXIM-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.22
Rot. Bonds3

About methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 177042378) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID177042378
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Namemethyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C16H21N3O5/c1-16(2,3)24-15(22)18-11-8-19(9-11)13(20)12-6-5-10(7-17-12)14(21)23-4/h5-7,11H,8-9H2,1-4H3,(H,18,22)
InChIKeyWBFLHDXBMCUXIM-UHFFFAOYSA-N
XLogP1.22
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 166934663
methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
CID 163307577
methyl 4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 90090878
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
CID 170979091
tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 97007666
tert-butyl N-[(3R)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 97007665
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate (CID 177042378) is methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)nc1.
What is the InChIKey of methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is WBFLHDXBMCUXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-16(2,3)24-15(22)18-11-8-19(9-11)13(20)12-6-5-10(7-17-12)14(21)23-4/h5-7,11H,8-9H2,1-4H3,(H,18,22).
What are the key properties of methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 177042378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).