1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone

C146H154N17O8+ — CID 158786547

IUPAC1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
SMILESC.C.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccccn2)cc1.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)cc1.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccncc2)cc1.Cc1ccc(CCN[C@H](C(=O)C2=C3C=CC=CC3[N+](C)=C2)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCN1CCCCC1=O)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1=O)c1ccccc1
InChIInChI=1S/C26H27N2O.3C24H23N3O.2C23H25N3O2.2CH4/c1-19-12-14-20(15-13-19)16-17-27-25(21-8-4-3-5-9-21)26(29)23-18-28(2)24-11-7-6-10-22(23)24;1-17-8-10-18(11-9-17)12-14-26-23(19-5-4-13-25-15-19)24(28)21-16-27-22-7-3-2-6-20(21)22;1-17-9-11-18(12-10-17)13-15-26-23(22-8-4-5-14-25-22)24(28)20-16-27-21-7-3-2-6-19(20)21;1-17-6-8-18(9-7-17)10-15-26-23(19-11-13-25-14-12-19)24(28)21-16-27-22-5-3-2-4-20(21)22;2*27-21-12-6-7-14-26(21)15-13-24-22(17-8-2-1-3-9-17)23(28)19-16-25-20-11-5-4-10-18(19)20;;/h3-15,18,24-25,27H,16-17H2,1-2H3;2-11,13,15-16,23,26-27H,12,14H2,1H3;2-12,14,16,23,26-27H,13,15H2,1H3;2-9,11-14,16,23,26-27H,10,15H2,1H3;2*1-5,8-11,16,22,24-25H,6-7,12-15H2;2*1H4/q+1;;;;;;;/t24?,25-;;;;2*22-;;/m0...10../s1
InChIKeyZGIYYSLPZPLPHS-VFQVMGHGSA-N
MW2274.95 g/mol
LogP26.50
Rot. Bonds42

About 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone

1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone (PubChem CID 158786547) has the molecular formula C146H154N17O8+ and a molecular weight of 2274.95 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
PubChem CID158786547
Molecular FormulaC146H154N17O8+
Molecular Weight2274.95 g/mol
Exact Mass2273.22
IUPAC Name1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
SMILESC.C.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccccn2)cc1.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)cc1.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccncc2)cc1.Cc1ccc(CCN[C@H](C(=O)C2=C3C=CC=CC3[N+](C)=C2)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCN1CCCCC1=O)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1=O)c1ccccc1
InChIInChI=1S/C26H27N2O.3C24H23N3O.2C23H25N3O2.2CH4/c1-19-12-14-20(15-13-19)16-17-27-25(21-8-4-3-5-9-21)26(29)23-18-28(2)24-11-7-6-10-22(23)24;1-17-8-10-18(11-9-17)12-14-26-23(19-5-4-13-25-15-19)24(28)21-16-27-22-7-3-2-6-20(21)22;1-17-9-11-18(12-10-17)13-15-26-23(22-8-4-5-14-25-22)24(28)20-16-27-21-7-3-2-6-19(20)21;1-17-6-8-18(9-7-17)10-15-26-23(19-11-13-25-14-12-19)24(28)21-16-27-22-5-3-2-4-20(21)22;2*27-21-12-6-7-14-26(21)15-13-24-22(17-8-2-1-3-9-17)23(28)19-16-25-20-11-5-4-10-18(19)20;;/h3-15,18,24-25,27H,16-17H2,1-2H3;2-11,13,15-16,23,26-27H,12,14H2,1H3;2-12,14,16,23,26-27H,13,15H2,1H3;2-9,11-14,16,23,26-27H,10,15H2,1H3;2*1-5,8-11,16,22,24-25H,6-7,12-15H2;2*1H4/q+1;;;;;;;/t24?,25-;;;;2*22-;;/m0...10../s1
InChIKeyZGIYYSLPZPLPHS-VFQVMGHGSA-N
XLogP26.50
TPSA335.85 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.95
LogP ≤ 526.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone (CID 158786547) is 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone is C.C.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccccn2)cc1.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2cccnc2)cc1.Cc1ccc(CCNC(C(=O)c2c[nH]c3ccccc23)c2ccncc2)cc1.Cc1ccc(CCN[C@H](C(=O)C2=C3C=CC=CC3[N+](C)=C2)c2ccccc2)cc1.O=C(c1c[nH]c2ccccc12)[C@@H](NCCN1CCCCC1=O)c1ccccc1.O=C(c1c[nH]c2ccccc12)[C@H](NCCN1CCCCC1=O)c1ccccc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The InChIKey is ZGIYYSLPZPLPHS-VFQVMGHGSA-N. The full InChI is InChI=1S/C26H27N2O.3C24H23N3O.2C23H25N3O2.2CH4/c1-19-12-14-20(15-13-19)16-17-27-25(21-8-4-3-5-9-21)26(29)23-18-28(2)24-11-7-6-10-22(23)24;1-17-8-10-18(11-9-17)12-14-26-23(19-5-4-13-25-15-19)24(28)21-16-27-22-7-3-2-6-20(21)22;1-17-9-11-18(12-10-17)13-15-26-23(22-8-4-5-14-25-22)24(28)20-16-27-21-7-3-2-6-19(20)21;1-17-6-8-18(9-7-17)10-15-26-23(19-11-13-25-14-12-19)24(28)21-16-27-22-5-3-2-4-20(21)22;2*27-21-12-6-7-14-26(21)15-13-24-22(17-8-2-1-3-9-17)23(28)19-16-25-20-11-5-4-10-18(19)20;;/h3-15,18,24-25,27H,16-17H2,1-2H3;2-11,13,15-16,23,26-27H,12,14H2,1H3;2-12,14,16,23,26-27H,13,15H2,1H3;2-9,11-14,16,23,26-27H,10,15H2,1H3;2*1-5,8-11,16,22,24-25H,6-7,12-15H2;2*1H4/q+1;;;;;;;/t24?,25-;;;;2*22-;;/m0...10../s1.
What are the key properties of 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone has a molecular weight of 2274.95 g/mol, XLogP of 26.50, 42 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-2-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-3-ylethanone;1-(1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-pyridin-4-ylethanone;1-[2-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;1-[2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]piperidin-2-one;methane;(2S)-1-(1-methyl-7aH-indol-1-ium-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone is sourced from PubChem (CID 158786547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).