tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate

C20H30N6O2 — CID 162494767

IUPACtert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate
SMILESCN1CCN(c2cc(N3CC(CNC(=O)OC(C)(C)C)C3)cc(C#N)n2)CC1
InChIInChI=1S/C20H30N6O2/c1-20(2,3)28-19(27)22-12-15-13-26(14-15)17-9-16(11-21)23-18(10-17)25-7-5-24(4)6-8-25/h9-10,15H,5-8,12-14H2,1-4H3,(H,22,27)
InChIKeyLWQQVGJIFMAZBK-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate

tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate (PubChem CID 162494767) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate
PubChem CID162494767
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Nametert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate
SMILESCN1CCN(c2cc(N3CC(CNC(=O)OC(C)(C)C)C3)cc(C#N)n2)CC1
InChIInChI=1S/C20H30N6O2/c1-20(2,3)28-19(27)22-12-15-13-26(14-15)17-9-16(11-21)23-18(10-17)25-7-5-24(4)6-8-25/h9-10,15H,5-8,12-14H2,1-4H3,(H,22,27)
InChIKeyLWQQVGJIFMAZBK-UHFFFAOYSA-N
XLogP1.67
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methyl]carbamate
CID 91646940
tert-butyl N-[[1-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate
CID 145433487
benzyl 4-[2-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-pyridinyl]piperazine-1-carboxylate
CID 162494860
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
tert-butyl N-[(2-cyano-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl)methyl]carbamate
CID 170987207
tert-butyl N-[[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 71648617
tert-butyl N-[[1-[2-amino-6-[(3-methoxyphenyl)methylamino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate
CID 142695524
tert-butyl N-[[(3R)-1-(2-chloropyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 97174350
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-[(6-fluoro-1-methylazepan-4-yl)methyl]carbamate
CID 91578087

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate (CID 162494767) is tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate is CN1CCN(c2cc(N3CC(CNC(=O)OC(C)(C)C)C3)cc(C#N)n2)CC1.
What is the InChIKey of tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate?
The InChIKey is LWQQVGJIFMAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-20(2,3)28-19(27)22-12-15-13-26(14-15)17-9-16(11-21)23-18(10-17)25-7-5-24(4)6-8-25/h9-10,15H,5-8,12-14H2,1-4H3,(H,22,27).
What are the key properties of tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate has a molecular weight of 386.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-cyano-6-(4-methylpiperazin-1-yl)-4-pyridinyl]azetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 162494767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).