benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate

C84H88N14O11 — CID 158244317

IUPACbenzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
SMILESC[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(N)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(Nc2ncccc2N)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H22N4O3.C22H22N4O4.C22H24N4O2.C17H20N2O2/c1-16(25-23(29)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)27-21-20(26-22(27)28)8-5-13-24-21;1-16(24-22(27)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)25-21-20(26(28)29)8-5-13-23-21;1-16(25-22(27)28-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)26-21-20(23)8-5-13-24-21;1-13(11-14-7-9-16(18)10-8-14)19-17(20)21-12-15-5-3-2-4-6-15/h2-13,16H,14-15H2,1H3,(H,25,29)(H,26,28);2-13,16H,14-15H2,1H3,(H,23,25)(H,24,27);2-13,16H,14-15,23H2,1H3,(H,24,26)(H,25,27);2-10,13H,11-12,18H2,1H3,(H,19,20)/t3*16-;13-/m1111/s1
InChIKeyGFXXJHOPZZXJFL-BALUZSRPSA-N
MW1469.71 g/mol
LogP15.55
Rot. Bonds26

About benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate

benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate (PubChem CID 158244317) has the molecular formula C84H88N14O11 and a molecular weight of 1469.71 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
PubChem CID158244317
Molecular FormulaC84H88N14O11
Molecular Weight1469.71 g/mol
Exact Mass1468.68
IUPAC Namebenzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
SMILESC[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(N)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(Nc2ncccc2N)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H22N4O3.C22H22N4O4.C22H24N4O2.C17H20N2O2/c1-16(25-23(29)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)27-21-20(26-22(27)28)8-5-13-24-21;1-16(24-22(27)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)25-21-20(26(28)29)8-5-13-23-21;1-16(25-22(27)28-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)26-21-20(23)8-5-13-24-21;1-13(11-14-7-9-16(18)10-8-14)19-17(20)21-12-15-5-3-2-4-6-15/h2-13,16H,14-15H2,1H3,(H,25,29)(H,26,28);2-13,16H,14-15H2,1H3,(H,23,25)(H,24,27);2-13,16H,14-15,23H2,1H3,(H,24,26)(H,25,27);2-10,13H,11-12,18H2,1H3,(H,19,20)/t3*16-;13-/m1111/s1
InChIKeyGFXXJHOPZZXJFL-BALUZSRPSA-N
XLogP15.55
TPSA349.02 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001469.71
LogP ≤ 515.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate
CID 58011155
benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate
CID 58011190
1-[2-[(5-Nitro-2-pyridinyl)amino]ethyl]-3-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-2-pyridinyl]urea
CID 66971578
Benzyl 4-(3-amino-2-pyridinyl)piperazine-1-carboxylate;benzyl 4-(3-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 67906429
Benzyl 9-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-2-pyridinyl]-2,9-diazaspiro[5.5]undecane-2-carboxylate
CID 68047937
benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate;tert-butyl (2R)-3-[4-[(3-amino-2-pyridinyl)amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoate;tert-butyl (2R)-3-[4-[(3-nitro-2-pyridinyl)amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 90719018
tert-butyl (2S)-3-(4-aminophenyl)-2-methylpropanoate;tert-butyl (2S)-3-[4-[(3-amino-2-pyridinyl)amino]phenyl]-2-methylpropanoate;tert-butyl (2S)-2-methyl-3-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propanoate;tert-butyl (2S)-2-methyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propanoate
CID 123816916
tert-butyl N-[dimethoxy(phenyl)methyl]-N-[5-nitro-6-(1-pyridin-3-ylethylamino)-2-pyridinyl]carbamate
CID 141158654
[4-[(2-chloro-5-nitropyrimidin-4-yl)amino]phenyl]methyl N-tert-butylcarbamate;[4-[[2-[(2-methyloxan-4-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]methyl N-tert-butylcarbamate
CID 141723320
[4-[[5-amino-2-[(2-methyloxan-4-yl)amino]pyrimidin-4-yl]amino]phenyl]methyl N-tert-butylcarbamate;[4-[[2-[(2-methyloxan-4-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]methyl N-tert-butylcarbamate
CID 141723330
benzyl N-[(4-nitrophenyl)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]carbamate
CID 142744377
tert-butyl (2R)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoate;tert-butyl (2S)-3-[4-[(3-amino-2-pyridinyl)amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoate;tert-butyl (2S)-3-[4-[(3-nitro-2-pyridinyl)amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoate;tert-butyl (2S)-3-[4-(2-oxo-3H-benzimidazol-1-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 159013535

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate (CID 158244317) is benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate is C[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(N)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(Nc2ncccc2N)cc1)NC(=O)OCc1ccccc1.C[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
The InChIKey is GFXXJHOPZZXJFL-BALUZSRPSA-N. The full InChI is InChI=1S/C23H22N4O3.C22H22N4O4.C22H24N4O2.C17H20N2O2/c1-16(25-23(29)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)27-21-20(26-22(27)28)8-5-13-24-21;1-16(24-22(27)30-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)25-21-20(26(28)29)8-5-13-23-21;1-16(25-22(27)28-15-18-6-3-2-4-7-18)14-17-9-11-19(12-10-17)26-21-20(23)8-5-13-24-21;1-13(11-14-7-9-16(18)10-8-14)19-17(20)21-12-15-5-3-2-4-6-15/h2-13,16H,14-15H2,1H3,(H,25,29)(H,26,28);2-13,16H,14-15H2,1H3,(H,23,25)(H,24,27);2-13,16H,14-15,23H2,1H3,(H,24,26)(H,25,27);2-10,13H,11-12,18H2,1H3,(H,19,20)/t3*16-;13-/m1111/s1.
What are the key properties of benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate?
benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate has a molecular weight of 1469.71 g/mol, XLogP of 15.55, 26 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-amino-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]propan-2-yl]carbamate;benzyl N-[(2R)-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 158244317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).