N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide

C25H20BrN5O — CID 18729890

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide
SMILESNCc1ccc(CNC(=O)c2cc(-c3c[nH]c4ccc(Br)cc34)nc3ncccc23)cc1
InChIInChI=1S/C25H20BrN5O/c26-17-7-8-22-19(10-17)21(14-29-22)23-11-20(18-2-1-9-28-24(18)31-23)25(32)30-13-16-5-3-15(12-27)4-6-16/h1-11,14,29H,12-13,27H2,(H,30,32)
InChIKeyTZOYHYQPPGYRGL-UHFFFAOYSA-N
MW486.37 g/mol
LogP4.93
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide (PubChem CID 18729890) has the molecular formula C25H20BrN5O and a molecular weight of 486.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide
PubChem CID18729890
Molecular FormulaC25H20BrN5O
Molecular Weight486.37 g/mol
Exact Mass485.09
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide
SMILESNCc1ccc(CNC(=O)c2cc(-c3c[nH]c4ccc(Br)cc34)nc3ncccc23)cc1
InChIInChI=1S/C25H20BrN5O/c26-17-7-8-22-19(10-17)21(14-29-22)23-11-20(18-2-1-9-28-24(18)31-23)25(32)30-13-16-5-3-15(12-27)4-6-16/h1-11,14,29H,12-13,27H2,(H,30,32)
InChIKeyTZOYHYQPPGYRGL-UHFFFAOYSA-N
XLogP4.93
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide with MolForge

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Related Compounds

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4-[[3-(1H-indole-6-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
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2-(3-bromophenyl)-N-(2-pyrimidinyl)-4-quinolinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide (CID 18729890) is N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide is NCc1ccc(CNC(=O)c2cc(-c3c[nH]c4ccc(Br)cc34)nc3ncccc23)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide?
The InChIKey is TZOYHYQPPGYRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN5O/c26-17-7-8-22-19(10-17)21(14-29-22)23-11-20(18-2-1-9-28-24(18)31-23)25(32)30-13-16-5-3-15(12-27)4-6-16/h1-11,14,29H,12-13,27H2,(H,30,32).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 18729890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).