[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate

C20H22N4O4 — CID 70975854

IUPAC[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
SMILESCC[C@@H](OC(N)=O)C(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1
InChIInChI=1S/C20H22N4O4/c1-4-17(28-20(22)26)19(25)24-14-6-8-18(23-11-14)27-15-7-5-13(10-21)16(9-15)12(2)3/h5-9,11-12,17H,4H2,1-3H3,(H2,22,26)(H,24,25)/t17-/m1/s1
InChIKeyUFGUVAFJFMAMAT-QGZVFWFLSA-N
MW382.42 g/mol
LogP3.68
Rot. Bonds7

About [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate

[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate (PubChem CID 70975854) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
PubChem CID70975854
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
SMILESCC[C@@H](OC(N)=O)C(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1
InChIInChI=1S/C20H22N4O4/c1-4-17(28-20(22)26)19(25)24-14-6-8-18(23-11-14)27-15-7-5-13(10-21)16(9-15)12(2)3/h5-9,11-12,17H,4H2,1-3H3,(H2,22,26)(H,24,25)/t17-/m1/s1
InChIKeyUFGUVAFJFMAMAT-QGZVFWFLSA-N
XLogP3.68
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
CID 123754892
tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 71004465
[(2R)-5,5-dimethyl-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxohexan-2-yl] carbamate
CID 152744005
N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide
CID 140704551
tert-butyl-[(2R)-1-[[6-(4-cyano-3-prop-1-en-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamic acid
CID 89154802
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169
tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate
CID 123432180
N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide
CID 42691212
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate?
The IUPAC name of [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate (CID 70975854) is [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate is CC[C@@H](OC(N)=O)C(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1.
What is the InChIKey of [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate?
The InChIKey is UFGUVAFJFMAMAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-4-17(28-20(22)26)19(25)24-14-6-8-18(23-11-14)27-15-7-5-13(10-21)16(9-15)12(2)3/h5-9,11-12,17H,4H2,1-3H3,(H2,22,26)(H,24,25)/t17-/m1/s1.
What are the key properties of [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate?
[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate has a molecular weight of 382.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate is sourced from PubChem (CID 70975854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).