N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate

C103H94N20O8S — CID 158216647

IUPACN-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate
SMILESCN(C(=O)c1ccccc1)c1ccc(NCCc2cccnc2)c(N)c1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(N)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)OCc1ccccc1)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2CCc1cccnc1
InChIInChI=1S/C30H24N6O3S.C30H27N5O3.C22H21N5O.C21H22N4O/c1-35(29(38)21-7-3-2-4-8-21)22-9-10-24-23(16-22)33-30(36(24)15-13-20-6-5-14-31-17-20)34-28(37)27-12-11-26(40-27)25-18-32-19-39-25;1-34(28(36)24-12-6-3-7-13-24)25-14-15-27-26(19-25)32-29(35(27)18-16-22-11-8-17-31-20-22)33-30(37)38-21-23-9-4-2-5-10-23;1-26(21(28)17-7-3-2-4-8-17)18-9-10-20-19(14-18)25-22(23)27(20)13-11-16-6-5-12-24-15-16;1-25(21(26)17-7-3-2-4-8-17)18-9-10-20(19(22)14-18)24-13-11-16-6-5-12-23-15-16/h2-12,14,16-19H,13,15H2,1H3,(H,33,34,37);2-15,17,19-20H,16,18,21H2,1H3,(H,32,33,37);2-10,12,14-15H,11,13H2,1H3,(H2,23,25);2-10,12,14-15,24H,11,13,22H2,1H3
InChIKeyGCSSGQNBKMQQSV-UHFFFAOYSA-N
MW1772.08 g/mol
LogP18.75
Rot. Bonds27

About N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate

N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate (PubChem CID 158216647) has the molecular formula C103H94N20O8S and a molecular weight of 1772.08 g/mol. Its IUPAC name is N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NameN-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate
PubChem CID158216647
Molecular FormulaC103H94N20O8S
Molecular Weight1772.08 g/mol
Exact Mass1770.73
IUPAC NameN-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate
SMILESCN(C(=O)c1ccccc1)c1ccc(NCCc2cccnc2)c(N)c1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(N)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)OCc1ccccc1)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2CCc1cccnc1
InChIInChI=1S/C30H24N6O3S.C30H27N5O3.C22H21N5O.C21H22N4O/c1-35(29(38)21-7-3-2-4-8-21)22-9-10-24-23(16-22)33-30(36(24)15-13-20-6-5-14-31-17-20)34-28(37)27-12-11-26(40-27)25-18-32-19-39-25;1-34(28(36)24-12-6-3-7-13-24)25-14-15-27-26(19-25)32-29(35(27)18-16-22-11-8-17-31-20-22)33-30(37)38-21-23-9-4-2-5-10-23;1-26(21(28)17-7-3-2-4-8-17)18-9-10-20-19(14-18)25-22(23)27(20)13-11-16-6-5-12-24-15-16;1-25(21(26)17-7-3-2-4-8-17)18-9-10-20(19(22)14-18)24-13-11-16-6-5-12-23-15-16/h2-12,14,16-19H,13,15H2,1H3,(H,33,34,37);2-15,17,19-20H,16,18,21H2,1H3,(H,32,33,37);2-10,12,14-15H,11,13H2,1H3,(H2,23,25);2-10,12,14-15,24H,11,13,22H2,1H3
InChIKeyGCSSGQNBKMQQSV-UHFFFAOYSA-N
XLogP18.75
TPSA343.79 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.08
LogP ≤ 518.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate with MolForge

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1,3-oxazol-2-yl)thiophene-2-carboxamide
CID 25190528
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 25190530
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 25190531
N-[5-(methylamino)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 134277652
N-(1-(2-hydroxy-2-methylpropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(2-methyloxazol-5-yl)thiophene-2-carboxamide
CID 44573146
N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 134277604
N-methyl-N-[2-[[5-(1,3-oxazol-5-yl)thiophene-2-carbonyl]amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-5-yl]oxane-4-carboxamide
CID 134277653
N-[5-[cyclopropanecarbonyl(methyl)amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 134277675
N-[5-[acetyl(methyl)amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 134277676
N-[5-[methyl-[(2S)-2-morpholin-4-ylpropanoyl]amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 134277797
N-[5-[methyl(2-methylpropanoyl)amino]-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 134277804
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 126737534

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate?
The IUPAC name of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate (CID 158216647) is N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate.
What is the SMILES notation for N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate?
The canonical SMILES for N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate is CN(C(=O)c1ccccc1)c1ccc(NCCc2cccnc2)c(N)c1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(N)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)OCc1ccccc1)n2CCc1cccnc1.CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2CCc1cccnc1.
What is the InChIKey of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate?
The InChIKey is GCSSGQNBKMQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3S.C30H27N5O3.C22H21N5O.C21H22N4O/c1-35(29(38)21-7-3-2-4-8-21)22-9-10-24-23(16-22)33-30(36(24)15-13-20-6-5-14-31-17-20)34-28(37)27-12-11-26(40-27)25-18-32-19-39-25;1-34(28(36)24-12-6-3-7-13-24)25-14-15-27-26(19-25)32-29(35(27)18-16-22-11-8-17-31-20-22)33-30(37)38-21-23-9-4-2-5-10-23;1-26(21(28)17-7-3-2-4-8-17)18-9-10-20-19(14-18)25-22(23)27(20)13-11-16-6-5-12-24-15-16;1-25(21(26)17-7-3-2-4-8-17)18-9-10-20(19(22)14-18)24-13-11-16-6-5-12-23-15-16/h2-12,14,16-19H,13,15H2,1H3,(H,33,34,37);2-15,17,19-20H,16,18,21H2,1H3,(H,32,33,37);2-10,12,14-15H,11,13H2,1H3,(H2,23,25);2-10,12,14-15,24H,11,13,22H2,1H3.
What are the key properties of N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate?
N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate has a molecular weight of 1772.08 g/mol, XLogP of 18.75, 27 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(2-pyridin-3-ylethylamino)phenyl]-N-methylbenzamide;N-[2-amino-1-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-N-methylbenzamide;N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;benzyl N-[5-[benzoyl(methyl)amino]-1-(2-pyridin-3-ylethyl)benzimidazol-2-yl]carbamate is sourced from PubChem (CID 158216647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).