5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

C23H23N5O — CID 109280515

IUPAC5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NCCc3c[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C23H23N5O/c1-16-6-8-17(9-7-16)12-28-23(29)21-14-27-22(15-26-21)24-11-10-18-13-25-20-5-3-2-4-19(18)20/h2-9,13-15,25H,10-12H2,1H3,(H,24,27)(H,28,29)
InChIKeySBMHEAOTSNVKCL-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.85
Rot. Bonds7

About 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280515) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280515
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NCCc3c[nH]c4ccccc34)cn2)cc1
InChIInChI=1S/C23H23N5O/c1-16-6-8-17(9-7-16)12-28-23(29)21-14-27-22(15-26-21)24-11-10-18-13-25-20-5-3-2-4-19(18)20/h2-9,13-15,25H,10-12H2,1H3,(H,24,27)(H,28,29)
InChIKeySBMHEAOTSNVKCL-UHFFFAOYSA-N
XLogP3.85
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
6-N-[2-(1H-indol-3-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859174
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280515) is 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CNC(=O)c2cnc(NCCc3c[nH]c4ccccc34)cn2)cc1.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is SBMHEAOTSNVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-6-8-17(9-7-16)12-28-23(29)21-14-27-22(15-26-21)24-11-10-18-13-25-20-5-3-2-4-19(18)20/h2-9,13-15,25H,10-12H2,1H3,(H,24,27)(H,28,29).
What are the key properties of 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).