tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate

C24H32N4O4 — CID 123432180

IUPACtert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate
SMILESCCC(CNc1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H32N4O4/c1-7-18(28-23(29)32-24(4,5)6)14-26-19-9-11-22(27-15-19)31-20-10-8-17(13-25)21(12-20)30-16(2)3/h8-12,15-16,18,26H,7,14H2,1-6H3,(H,28,29)
InChIKeyMYMQZQOOWOTTGV-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.25
Rot. Bonds9

About tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate

tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate (PubChem CID 123432180) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate
PubChem CID123432180
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate
SMILESCCC(CNc1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H32N4O4/c1-7-18(28-23(29)32-24(4,5)6)14-26-19-9-11-22(27-15-19)31-20-10-8-17(13-25)21(12-20)30-16(2)3/h8-12,15-16,18,26H,7,14H2,1-6H3,(H,28,29)
InChIKeyMYMQZQOOWOTTGV-UHFFFAOYSA-N
XLogP5.25
TPSA105.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 71004465
N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide
CID 162785536
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
2-[[6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]carbamoylamino]-2-methylpropanoic acid
CID 123576832
[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
CID 70975854
tert-butyl 6-(2-cyanophenoxy)pyridine-3-carboxylate
CID 166368688
tert-butyl-[(2R)-1-[[6-(4-cyano-3-prop-1-en-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamic acid
CID 89154802
tert-butyl N-[(2S)-1-[2-cyano-4-(6-methylpyridazin-4-yl)phenoxy]-4-methylpentan-2-yl]carbamate
CID 118429632
tert-butyl N-[(2S)-1-[4-[(5-formyl-2-pyridinyl)oxy]phenyl]-3-hydroxypropan-2-yl]carbamate
CID 86586019
tert-butyl N-[(2R)-1-[[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 70975813
4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide
CID 123746182
tert-butyl N-[2-(2-cyano-5-methylphenoxy)ethyl]carbamate
CID 166513843

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate (CID 123432180) is tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate is CCC(CNc1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate?
The InChIKey is MYMQZQOOWOTTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-7-18(28-23(29)32-24(4,5)6)14-26-19-9-11-22(27-15-19)31-20-10-8-17(13-25)21(12-20)30-16(2)3/h8-12,15-16,18,26H,7,14H2,1-6H3,(H,28,29).
What are the key properties of tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate?
tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate is sourced from PubChem (CID 123432180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).