tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate

C17H27N3O4 — CID 134176349

IUPACtert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate
SMILESCNc1nccc(CNC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O4/c1-16(2,3)23-14(21)12-11(8-9-19-13(12)18-7)10-20-15(22)24-17(4,5)6/h8-9H,10H2,1-7H3,(H,18,19)(H,20,22)
InChIKeyQXKZWMJXACLGAZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.10
Rot. Bonds4

About tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate

tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate (PubChem CID 134176349) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate
PubChem CID134176349
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate
SMILESCNc1nccc(CNC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O4/c1-16(2,3)23-14(21)12-11(8-9-19-13(12)18-7)10-20-15(22)24-17(4,5)6/h8-9H,10H2,1-7H3,(H,18,19)(H,20,22)
InChIKeyQXKZWMJXACLGAZ-UHFFFAOYSA-N
XLogP3.10
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-nitrobenzoate
CID 133057744
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phthalic acid
CID 67230375
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
CID 67159419
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
methyl 2-chloro-6-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 89467468
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-nitrobenzoate
CID 66643062

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate (CID 134176349) is tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate is CNc1nccc(CNC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate?
The InChIKey is QXKZWMJXACLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-16(2,3)23-14(21)12-11(8-9-19-13(12)18-7)10-20-15(22)24-17(4,5)6/h8-9H,10H2,1-7H3,(H,18,19)(H,20,22).
What are the key properties of tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate?
tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 134176349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).