tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

C32H34N4O4 — CID 167525839

IUPACtert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
SMILESCc1c(-c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(c3ccccc3)c3ccccc3)nc2)ccc(=O)n1C
InChIInChI=1S/C32H34N4O4/c1-21-25(17-19-27(37)36(21)5)24-16-18-26(33-20-24)34-30(38)29(35-31(39)40-32(2,3)4)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-20,28-29H,1-5H3,(H,35,39)(H,33,34,38)/t29-/m0/s1
InChIKeyUAAUOZUPCGONQA-LJAQVGFWSA-N
MW538.65 g/mol
LogP5.42
Rot. Bonds7

About tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (PubChem CID 167525839) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
PubChem CID167525839
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC Nametert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
SMILESCc1c(-c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(c3ccccc3)c3ccccc3)nc2)ccc(=O)n1C
InChIInChI=1S/C32H34N4O4/c1-21-25(17-19-27(37)36(21)5)24-16-18-26(33-20-24)34-30(38)29(35-31(39)40-32(2,3)4)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-20,28-29H,1-5H3,(H,35,39)(H,33,34,38)/t29-/m0/s1
InChIKeyUAAUOZUPCGONQA-LJAQVGFWSA-N
XLogP5.42
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
CID 167525715
tert-butyl N-[(2S)-1-[4-[3-(methylamino)-4-pyridinyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 167525732
tert-butyl N-[1-(methoxyamino)-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 87744037
tert-butyl N-[(2S)-1-[4-[3-(dimethylamino)-4-pyridinyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 167525737
tert-butyl N-[(2S)-1-oxo-1-[4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-4-pyridinyl]anilino]-3,3-diphenylpropan-2-yl]carbamate
CID 167525760
(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoic acid
CID 125456291
tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
CID 18549242
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(2,4,5-trimethylpyrazol-3-yl)-2-pyridinyl]amino]ethyl]carbamate
CID 167525659
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
CID 166552767
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 166179112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate (CID 167525839) is tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is Cc1c(-c2ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(c3ccccc3)c3ccccc3)nc2)ccc(=O)n1C.
What is the InChIKey of tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
The InChIKey is UAAUOZUPCGONQA-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-21-25(17-19-27(37)36(21)5)24-16-18-26(33-20-24)34-30(38)29(35-31(39)40-32(2,3)4)28(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-20,28-29H,1-5H3,(H,35,39)(H,33,34,38)/t29-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate has a molecular weight of 538.65 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate is sourced from PubChem (CID 167525839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).