2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide

C37H50N4O — CID 67664720

IUPAC2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide
SMILESCc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CCNC(C)CCCc2cccnc2)c1
InChIInChI=1S/C37H50N4O/c1-25(2)23-41(24-26(3)4)37(42)31-13-14-35-34(21-31)33(36(40-35)32-19-27(5)18-28(6)20-32)15-17-39-29(7)10-8-11-30-12-9-16-38-22-30/h9,12-14,16,18-22,25-26,29,39-40H,8,10-11,15,17,23-24H2,1-7H3
InChIKeyZORSOFUNJDCLFP-UHFFFAOYSA-N
MW566.83 g/mol
LogP8.14
Rot. Bonds14

About 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide

2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide (PubChem CID 67664720) has the molecular formula C37H50N4O and a molecular weight of 566.83 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide
PubChem CID67664720
Molecular FormulaC37H50N4O
Molecular Weight566.83 g/mol
Exact Mass566.40
IUPAC Name2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide
SMILESCc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CCNC(C)CCCc2cccnc2)c1
InChIInChI=1S/C37H50N4O/c1-25(2)23-41(24-26(3)4)37(42)31-13-14-35-34(21-31)33(36(40-35)32-19-27(5)18-28(6)20-32)15-17-39-29(7)10-8-11-30-12-9-16-38-22-30/h9,12-14,16,18-22,25-26,29,39-40H,8,10-11,15,17,23-24H2,1-7H3
InChIKeyZORSOFUNJDCLFP-UHFFFAOYSA-N
XLogP8.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-azabicyclo[2.2.2]octan-2-yl)-2-[2-(3,5-dimethylphenyl)-3-[2-(2-pyridin-3-ylethylamino)ethyl]-1H-indol-5-yl]-2-methylpropan-1-one
CID 101132442
N-(2-pyridin-3-ylethyl)octan-2-amine
CID 60914592
ethyl 2-(3,5-dichlorophenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(4-pyridin-3-ylbutyl)amino]ethyl]-1H-indole-5-carboxylate
CID 67626672
3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indole-5-carboxylic acid
CID 21249903
(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide
CID 102007995
2-[2-(3,5-dimethylphenyl)-3-[2-[[5-[4-(methanesulfonamido)phenyl]-1-oxo-1-phenylmethoxypentan-2-yl]amino]ethyl]-1H-indol-5-yl]-2-methylpropanoic acid
CID 67662749
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
CID 126801666
3-(14-methylpentadecyl)pyridine
CID 19697272
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 70464234
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide (CID 67664720) is 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide is Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3c2CCNC(C)CCCc2cccnc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
The InChIKey is ZORSOFUNJDCLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N4O/c1-25(2)23-41(24-26(3)4)37(42)31-13-14-35-34(21-31)33(36(40-35)32-19-27(5)18-28(6)20-32)15-17-39-29(7)10-8-11-30-12-9-16-38-22-30/h9,12-14,16,18-22,25-26,29,39-40H,8,10-11,15,17,23-24H2,1-7H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide?
2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide has a molecular weight of 566.83 g/mol, XLogP of 8.14, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(5-pyridin-3-ylpentan-2-ylamino)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 67664720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).