2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide

C29H26N4O3 — CID 56588245

IUPAC2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H26N4O3/c1-36-21-13-11-18(12-14-21)24-25(28(30)33-26(24)27(34)19-7-3-2-4-8-19)29(35)31-16-15-20-17-32-23-10-6-5-9-22(20)23/h2-14,17,32-33H,15-16,30H2,1H3,(H,31,35)
InChIKeyAWPQVVOREUIASC-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.96
Rot. Bonds8

About 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide

2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 56588245) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID56588245
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H26N4O3/c1-36-21-13-11-18(12-14-21)24-25(28(30)33-26(24)27(34)19-7-3-2-4-8-19)29(35)31-16-15-20-17-32-23-10-6-5-9-22(20)23/h2-14,17,32-33H,15-16,30H2,1H3,(H,31,35)
InChIKeyAWPQVVOREUIASC-UHFFFAOYSA-N
XLogP4.96
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxybenzoyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 53299915
2-amino-4-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxybenzoyl)-1H-pyrrole-3-carboxamide
CID 53299935
2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 53299934
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
CID 71214926
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23970143
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 56588245) is 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is AWPQVVOREUIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-36-21-13-11-18(12-14-21)24-25(28(30)33-26(24)27(34)19-7-3-2-4-8-19)29(35)31-16-15-20-17-32-23-10-6-5-9-22(20)23/h2-14,17,32-33H,15-16,30H2,1H3,(H,31,35).
What are the key properties of 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 56588245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).