N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C22H19N5O2 — CID 8003951

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C22H19N5O2/c1-26-18(12-16-20(26)25-19-8-4-5-11-27(19)22(16)29)21(28)23-10-9-14-13-24-17-7-3-2-6-15(14)17/h2-8,11-13,24H,9-10H2,1H3,(H,23,28)
InChIKeyLOUZIGKNBZPSNE-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 8003951) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID8003951
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C22H19N5O2/c1-26-18(12-16-20(26)25-19-8-4-5-11-27(19)22(16)29)21(28)23-10-9-14-13-24-17-7-3-2-6-15(14)17/h2-8,11-13,24H,9-10H2,1H3,(H,23,28)
InChIKeyLOUZIGKNBZPSNE-UHFFFAOYSA-N
XLogP2.64
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4189020
N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614640
6-methyl-N-(2-methylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852292
N-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984704
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
6-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4524522
N-(4-fluorophenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3670742
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 4975348
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24663733
N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110853433
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 8003951) is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is LOUZIGKNBZPSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-26-18(12-16-20(26)25-19-8-4-5-11-27(19)22(16)29)21(28)23-10-9-14-13-24-17-7-3-2-6-15(14)17/h2-8,11-13,24H,9-10H2,1H3,(H,23,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 8003951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).