tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate

C23H28N4O4 — CID 71004465

IUPACtert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCCc1cc(Oc2ccc(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)cn2)ccc1C#N
InChIInChI=1S/C23H28N4O4/c1-6-15-12-18(10-8-16(15)13-24)30-20-11-9-17(14-25-20)26-21(28)19(7-2)27-22(29)31-23(3,4)5/h8-12,14,19H,6-7H2,1-5H3,(H,26,28)(H,27,29)/t19-/m1/s1
InChIKeyNQXFKDGUKJFAGV-LJQANCHMSA-N
MW424.50 g/mol
LogP4.55
Rot. Bonds7

About tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate (PubChem CID 71004465) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
PubChem CID71004465
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Nametert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCCc1cc(Oc2ccc(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)cn2)ccc1C#N
InChIInChI=1S/C23H28N4O4/c1-6-15-12-18(10-8-16(15)13-24)30-20-11-9-17(14-25-20)26-21(28)19(7-2)27-22(29)31-23(3,4)5/h8-12,14,19H,6-7H2,1-5H3,(H,26,28)(H,27,29)/t19-/m1/s1
InChIKeyNQXFKDGUKJFAGV-LJQANCHMSA-N
XLogP4.55
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate
CID 123432180
tert-butyl N-[(2R)-1-[[6-[(2-tert-butyl-4-cyanophenyl)methyl]-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 130468131
tert-butyl N-[(2R)-1-[[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 70975813
[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
CID 70975854
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-[(2R)-3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(6-phenoxy-3-pyridinyl)amino]propan-2-yl]carbamate
CID 58783521
tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 146265174
tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate
CID 71113062
2-ethyl-4-[(5-nitroso-2-pyridinyl)oxy]benzonitrile
CID 118928198
tert-butyl N-[(2S)-1-[4-(3,4-dichlorophenyl)anilino]-1-oxobutan-2-yl]carbamate
CID 155748235
2-[[6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]carbamoylamino]-2-methylpropanoic acid
CID 123576832
N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
CID 163916058

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate (CID 71004465) is tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate is CCc1cc(Oc2ccc(NC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)cn2)ccc1C#N.
What is the InChIKey of tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is NQXFKDGUKJFAGV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-6-15-12-18(10-8-16(15)13-24)30-20-11-9-17(14-25-20)26-21(28)19(7-2)27-22(29)31-23(3,4)5/h8-12,14,19H,6-7H2,1-5H3,(H,26,28)(H,27,29)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 424.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 71004465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).