2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide

C82H83N9O3 — CID 90855161

IUPAC2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
SMILESCc1cc(-c2ccccc2C)ccc1NC(=O)C1CCCC1c1cc2[nH]ccc2cc1C.Cc1ccccc1-c1ccc(NC(=O)C2CCCC2c2cc3[nH]ccc3cc2C)nc1.Cc1ccccc1-c1cnc(NC(=O)C2CCCC2c2cc3[nH]ccc3cc2C)nc1
InChIInChI=1S/C29H30N2O.C27H27N3O.C26H26N4O/c1-18-7-4-5-8-23(18)21-11-12-27(20(3)16-21)31-29(32)25-10-6-9-24(25)26-17-28-22(13-14-30-28)15-19(26)2;1-17-6-3-4-7-21(17)20-10-11-26(29-16-20)30-27(31)23-9-5-8-22(23)24-15-25-19(12-13-28-25)14-18(24)2;1-16-6-3-4-7-20(16)19-14-28-26(29-15-19)30-25(31)22-9-5-8-21(22)23-13-24-18(10-11-27-24)12-17(23)2/h4-5,7-8,11-17,24-25,30H,6,9-10H2,1-3H3,(H,31,32);3-4,6-7,10-16,22-23,28H,5,8-9H2,1-2H3,(H,29,30,31);3-4,6-7,10-15,21-22,27H,5,8-9H2,1-2H3,(H,28,29,30,31)
InChIKeyGHKYNVMRKWWTQE-UHFFFAOYSA-N
MW1242.63 g/mol
LogP19.42
Rot. Bonds12

About 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide

2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide (PubChem CID 90855161) has the molecular formula C82H83N9O3 and a molecular weight of 1242.63 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
PubChem CID90855161
Molecular FormulaC82H83N9O3
Molecular Weight1242.63 g/mol
Exact Mass1241.66
IUPAC Name2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
SMILESCc1cc(-c2ccccc2C)ccc1NC(=O)C1CCCC1c1cc2[nH]ccc2cc1C.Cc1ccccc1-c1ccc(NC(=O)C2CCCC2c2cc3[nH]ccc3cc2C)nc1.Cc1ccccc1-c1cnc(NC(=O)C2CCCC2c2cc3[nH]ccc3cc2C)nc1
InChIInChI=1S/C29H30N2O.C27H27N3O.C26H26N4O/c1-18-7-4-5-8-23(18)21-11-12-27(20(3)16-21)31-29(32)25-10-6-9-24(25)26-17-28-22(13-14-30-28)15-19(26)2;1-17-6-3-4-7-21(17)20-10-11-26(29-16-20)30-27(31)23-9-5-8-22(23)24-15-25-19(12-13-28-25)14-18(24)2;1-16-6-3-4-7-20(16)19-14-28-26(29-15-19)30-25(31)22-9-5-8-21(22)23-13-24-18(10-11-27-24)12-17(23)2/h4-5,7-8,11-17,24-25,30H,6,9-10H2,1-3H3,(H,31,32);3-4,6-7,10-16,22-23,28H,5,8-9H2,1-2H3,(H,29,30,31);3-4,6-7,10-15,21-22,27H,5,8-9H2,1-2H3,(H,28,29,30,31)
InChIKeyGHKYNVMRKWWTQE-UHFFFAOYSA-N
XLogP19.42
TPSA173.34 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001242.63
LogP ≤ 519.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide (CID 90855161) is 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide is Cc1cc(-c2ccccc2C)ccc1NC(=O)C1CCCC1c1cc2[nH]ccc2cc1C.Cc1ccccc1-c1ccc(NC(=O)C2CCCC2c2cc3[nH]ccc3cc2C)nc1.Cc1ccccc1-c1cnc(NC(=O)C2CCCC2c2cc3[nH]ccc3cc2C)nc1.
What is the InChIKey of 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
The InChIKey is GHKYNVMRKWWTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O.C27H27N3O.C26H26N4O/c1-18-7-4-5-8-23(18)21-11-12-27(20(3)16-21)31-29(32)25-10-6-9-24(25)26-17-28-22(13-14-30-28)15-19(26)2;1-17-6-3-4-7-21(17)20-10-11-26(29-16-20)30-27(31)23-9-5-8-22(23)24-15-25-19(12-13-28-25)14-18(24)2;1-16-6-3-4-7-20(16)19-14-28-26(29-15-19)30-25(31)22-9-5-8-21(22)23-13-24-18(10-11-27-24)12-17(23)2/h4-5,7-8,11-17,24-25,30H,6,9-10H2,1-3H3,(H,31,32);3-4,6-7,10-16,22-23,28H,5,8-9H2,1-2H3,(H,29,30,31);3-4,6-7,10-15,21-22,27H,5,8-9H2,1-2H3,(H,28,29,30,31).
What are the key properties of 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide?
2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide has a molecular weight of 1242.63 g/mol, XLogP of 19.42, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-6-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5-methyl-1H-indol-6-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 90855161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).