pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate

C32H32N4O5 — CID 59627339

IUPACpyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C32H32N4O5/c1-32(2,3)41-31(39)36-27-17-16-25(23-9-5-4-6-10-23)19-28(27)35-29(37)24-14-12-22(13-15-24)20-34-30(38)40-21-26-11-7-8-18-33-26/h4-19H,20-21H2,1-3H3,(H,34,38)(H,35,37)(H,36,39)
InChIKeyXNNWYDBJQSBHCG-UHFFFAOYSA-N
MW552.63 g/mol
LogP6.77
Rot. Bonds8

About pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate

pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate (PubChem CID 59627339) has the molecular formula C32H32N4O5 and a molecular weight of 552.63 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate
PubChem CID59627339
Molecular FormulaC32H32N4O5
Molecular Weight552.63 g/mol
Exact Mass552.24
IUPAC Namepyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C32H32N4O5/c1-32(2,3)41-31(39)36-27-17-16-25(23-9-5-4-6-10-23)19-28(27)35-29(37)24-14-12-22(13-15-24)20-34-30(38)40-21-26-11-7-8-18-33-26/h4-19H,20-21H2,1-3H3,(H,34,38)(H,35,37)(H,36,39)
InChIKeyXNNWYDBJQSBHCG-UHFFFAOYSA-N
XLogP6.77
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
N-[2-(tert-butylamino)-5-fluorophenyl]-4-[[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]methyl]benzamide;pyridin-2-ylmethyl N-[[4-[[2-(tert-butylamino)phenyl]carbamoyl]phenyl]methyl]carbamate
CID 157206810
pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 22668191
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
tert-butyl N-[2-[[4-[[2-(dimethylamino)ethoxycarbonylamino]methyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 59737521
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[2-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 59627341
tert-butyl-[2-[[4-[(methoxycarbonylamino)methyl]benzoyl]amino]-4-phenylphenyl]carbamic acid
CID 68779504
tert-butyl N-[2-[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoyl]amino]phenyl]carbamate;ethane
CID 176715043
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25150915

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate (CID 59627339) is pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate?
The InChIKey is XNNWYDBJQSBHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O5/c1-32(2,3)41-31(39)36-27-17-16-25(23-9-5-4-6-10-23)19-28(27)35-29(37)24-14-12-22(13-15-24)20-34-30(38)40-21-26-11-7-8-18-33-26/h4-19H,20-21H2,1-3H3,(H,34,38)(H,35,37)(H,36,39).
What are the key properties of pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate?
pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate has a molecular weight of 552.63 g/mol, XLogP of 6.77, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 59627339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).