N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide

C91H93N11O8 — CID 160684453

IUPACN-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
SMILESC[C@]12C[C@H]3C[C@H](CC(C(=O)Nc4ccc(-c5cc6cc(NC(=O)c7ccccn7)ccc6[nH]5)cc4)(C3)C1)C2O.O=C(Nc1ccc(-c2cc3cc(NC(=O)C4CCCCC4)ccc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6C[C@H](C4)C(=O)[C@@H](C6)C5)cc3)cc2c1)c1ccccn1
InChIInChI=1S/C32H32N4O3.C31H28N4O3.C28H33N3O2/c1-31-15-19-12-22(28(31)37)17-32(16-19,18-31)30(39)35-23-7-5-20(6-8-23)27-14-21-13-24(9-10-25(21)36-27)34-29(38)26-4-2-3-11-33-26;36-28-21-11-18-12-22(28)17-31(15-18,16-21)30(38)34-23-6-4-19(5-7-23)27-14-20-13-24(8-9-25(20)35-27)33-29(37)26-3-1-2-10-32-26;32-27(20-7-3-1-4-8-20)29-23-13-11-19(12-14-23)26-18-22-17-24(15-16-25(22)31-26)30-28(33)21-9-5-2-6-10-21/h2-11,13-14,19,22,28,36-37H,12,15-18H2,1H3,(H,34,38)(H,35,39);1-10,13-14,18,21-22,35H,11-12,15-17H2,(H,33,37)(H,34,38);11-18,20-21,31H,1-10H2,(H,29,32)(H,30,33)/t19-,22-,28?,31+,32?;18?,21-,22+,31?;/m1../s1
InChIKeyROOPARBUVUYWPJ-FSLGRXPZSA-N
MW1468.81 g/mol
LogP18.69
Rot. Bonds15

About N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide

N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide (PubChem CID 160684453) has the molecular formula C91H93N11O8 and a molecular weight of 1468.81 g/mol. Its IUPAC name is N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
PubChem CID160684453
Molecular FormulaC91H93N11O8
Molecular Weight1468.81 g/mol
Exact Mass1467.72
IUPAC NameN-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
SMILESC[C@]12C[C@H]3C[C@H](CC(C(=O)Nc4ccc(-c5cc6cc(NC(=O)c7ccccn7)ccc6[nH]5)cc4)(C3)C1)C2O.O=C(Nc1ccc(-c2cc3cc(NC(=O)C4CCCCC4)ccc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6C[C@H](C4)C(=O)[C@@H](C6)C5)cc3)cc2c1)c1ccccn1
InChIInChI=1S/C32H32N4O3.C31H28N4O3.C28H33N3O2/c1-31-15-19-12-22(28(31)37)17-32(16-19,18-31)30(39)35-23-7-5-20(6-8-23)27-14-21-13-24(9-10-25(21)36-27)34-29(38)26-4-2-3-11-33-26;36-28-21-11-18-12-22(28)17-31(15-18,16-21)30(38)34-23-6-4-19(5-7-23)27-14-20-13-24(8-9-25(20)35-27)33-29(37)26-3-1-2-10-32-26;32-27(20-7-3-1-4-8-20)29-23-13-11-19(12-14-23)26-18-22-17-24(15-16-25(22)31-26)30-28(33)21-9-5-2-6-10-21/h2-11,13-14,19,22,28,36-37H,12,15-18H2,1H3,(H,34,38)(H,35,39);1-10,13-14,18,21-22,35H,11-12,15-17H2,(H,33,37)(H,34,38);11-18,20-21,31H,1-10H2,(H,29,32)(H,30,33)/t19-,22-,28?,31+,32?;18?,21-,22+,31?;/m1../s1
InChIKeyROOPARBUVUYWPJ-FSLGRXPZSA-N
XLogP18.69
TPSA285.05 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001468.81
LogP ≤ 518.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10026881
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10049533
2-[4-(adamantane-1-carbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
CID 161005892
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]cyclopentanecarboxamide;N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide;N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;bis(N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide);N-[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 160657271
N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
CID 59715129
N-(2-adamantyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indole-6-carboxamide
CID 59715101
2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
CID 59715192
2-[4-(adamantane-1-carbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-(4-benzamidophenyl)-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;2-[4-(cyclopentanecarbonylamino)phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclopentyl-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 160535939

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide (CID 160684453) is N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide is C[C@]12C[C@H]3C[C@H](CC(C(=O)Nc4ccc(-c5cc6cc(NC(=O)c7ccccn7)ccc6[nH]5)cc4)(C3)C1)C2O.O=C(Nc1ccc(-c2cc3cc(NC(=O)C4CCCCC4)ccc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6C[C@H](C4)C(=O)[C@@H](C6)C5)cc3)cc2c1)c1ccccn1.
What is the InChIKey of N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The InChIKey is ROOPARBUVUYWPJ-FSLGRXPZSA-N. The full InChI is InChI=1S/C32H32N4O3.C31H28N4O3.C28H33N3O2/c1-31-15-19-12-22(28(31)37)17-32(16-19,18-31)30(39)35-23-7-5-20(6-8-23)27-14-21-13-24(9-10-25(21)36-27)34-29(38)26-4-2-3-11-33-26;36-28-21-11-18-12-22(28)17-31(15-18,16-21)30(38)34-23-6-4-19(5-7-23)27-14-20-13-24(8-9-25(20)35-27)33-29(37)26-3-1-2-10-32-26;32-27(20-7-3-1-4-8-20)29-23-13-11-19(12-14-23)26-18-22-17-24(15-16-25(22)31-26)30-28(33)21-9-5-2-6-10-21/h2-11,13-14,19,22,28,36-37H,12,15-18H2,1H3,(H,34,38)(H,35,39);1-10,13-14,18,21-22,35H,11-12,15-17H2,(H,33,37)(H,34,38);11-18,20-21,31H,1-10H2,(H,29,32)(H,30,33)/t19-,22-,28?,31+,32?;18?,21-,22+,31?;/m1../s1.
What are the key properties of N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide has a molecular weight of 1468.81 g/mol, XLogP of 18.69, 15 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]cyclohexanecarboxamide;N-[2-[4-[[(3S,5R,7R)-4-hydroxy-3-methyladamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide;N-[2-[4-[[(3R,5S)-4-oxoadamantane-1-carbonyl]amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 160684453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).