N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide

C21H18BrN3O — CID 59950814

IUPACN-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide
SMILESNCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)cc2ccccc12
InChIInChI=1S/C21H18BrN3O/c22-15-5-6-20-17(11-15)19(12-25-20)14-9-13-3-1-2-4-16(13)18(10-14)21(26)24-8-7-23/h1-6,9-12,25H,7-8,23H2,(H,24,26)
InChIKeyBXEQIMAMPDWAGD-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.44
Rot. Bonds4

About N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide

N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide (PubChem CID 59950814) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide
PubChem CID59950814
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC NameN-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide
SMILESNCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)cc2ccccc12
InChIInChI=1S/C21H18BrN3O/c22-15-5-6-20-17(11-15)19(12-25-20)14-9-13-3-1-2-4-16(13)18(10-14)21(26)24-8-7-23/h1-6,9-12,25H,7-8,23H2,(H,24,26)
InChIKeyBXEQIMAMPDWAGD-UHFFFAOYSA-N
XLogP4.44
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-8-fluoroquinoline-4-carboxamide
CID 18729776
N-[2-[2-aminoethyl-[2-[[2-(5-bromo-1H-indol-3-yl)quinoline-4-carbonyl]amino]ethyl]amino]ethyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 54086913
N-[[4-[(3-aminopropanoylamino)methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729849
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868
N-[[4-(aminomethyl)phenyl]methyl]-6-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729975
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide;2-(5-bromo-1H-indol-3-yl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]quinoline-4-carboxamide
CID 161116274
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
CID 155518400
N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-(3-thiomorpholin-4-ylprop-1-ynyl)quinoline-4-carboxamide
CID 18729770
N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(3,6-dihydro-2H-pyridin-1-yl)prop-1-ynyl]quinoline-4-carboxamide
CID 18729768

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide (CID 59950814) is N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide is NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)cc2ccccc12.
What is the InChIKey of N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide?
The InChIKey is BXEQIMAMPDWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O/c22-15-5-6-20-17(11-15)19(12-25-20)14-9-13-3-1-2-4-16(13)18(10-14)21(26)24-8-7-23/h1-6,9-12,25H,7-8,23H2,(H,24,26).
What are the key properties of N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide?
N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(5-bromo-1H-indol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 59950814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).